Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T82266

Target Info

Target Name

Voltage-gated L-type calcium channel (L-CaC)

Synonyms

L-type voltage-dependent Ca(2+) channel; L-type Ca2+ channel; L-type Ca(2+) channel

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Target Type

Successful Target

Gene Name

NO-GeName

Biochemical Class

Voltage-gated ion channel

UniProt ID

Family

Poor Binders of This Target (in total, 17 binders)

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Compound Name

Lamivudine

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Approved

Compound Info

Synonyms

lamivudine; 134678-17-4; Epivir; Zeffix; Heptovir; Epivir-HBV; Hepitec; Heptodin; BCH-189; 3TC; Heptivir; CIS-LAMIVUDINE; (-)-2'-Deoxy-3'-thiacytidine; 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; GR-109714X; 3'-Thia-2',3'-dideoxycytidine; (-)-BCH-189; Lamivudine [USAN:BAN:INN]; GR109714X; beta-L-3'-Thia-2',3'-dideoxycytidine; beta-L-2',3'-Dideoxy-3'-thiacytidine; (-)NGPB-21; 136891-12-8; 2',3'-Dideoxy-3'-thiacytidine; (-)-BCH 189; UNII-2T8Q726O95; HSDB 7155; GR 109714X; DTHC; LMV; Lamivir; Zefix; BCH 189; BCH189; BCH-790; DRG-0126; Epivir (TN); Epivir(TM); GG-714; HHA & 3TC; HHA & Lamivudine; Heptovir (TN); Lamivudine & GNA; Zeffix (TN); Epivir-HBV (TN); Lamivudine [USAN:INN:BAN]; Lamivudine (JAN/USP/INN); Lamivudine, (2S-cis)-Isomer; Beta-L-2',3'-Dideoxy-3'-thiacytidine; Beta-L-3'-Thia-2',3'-dideoxycytidine; Beta-L-(-)-2',3'-dideoxy-3'-thiacytidine & Sho-Saiko-To; (+/-)-(Cis)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (+/-)-3TC; (+/-)-BCH-189; (+/-)-SddC; (-)-(2'R,5'S)-1-[2'-Hydroxymethyl-5'-(1,3-oxathiolanyl)]cytosine; (-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; (-)-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (-)-NGPB-21; (-)-SddC; (-)-beta-L-2',3'-Dideoxy-3'-thiacytidine; (2R,cis)-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2',3' Dideoxy 3' thiacytidine; 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (+/-)-(Cis); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Galanthus Nivalis Agglutinin (GNA); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Hippeastrum hybrid agglutinin(HHA); 3TC & GNA; 3TC & SST; 3TC (AIDS INITIATIVE) (AIDS INITIATIVE); 3TC and NV-01; 3TC, Zeffix, Heptovir, Epivir, Epivir-HBV, Lamivudine; 4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; Efavirenz/lamivudine/tenofovir fumarate

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Activity

IC50 = 54200 nM

[1]

Compound Name

Dofetilide

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Approved

Compound Info

Synonyms

Dofetilida; Dofetilidum; Tikosyn; Xelide; UK 68798; Dofetilida [INN-Spanish]; Dofetilidum [INN-Latin];Tikosyn (TN); UK 68,798; UK-68798; Dofetilide [USAN:BAN:INN]; Tikosyn, UK68798, Dofetilide; UK-68,798; Dofetilide (JAN/USAN/INN); Beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide; N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide; N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide; Methanesulfonamide, N-(4-(2-(methyl(2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl); 1-(4-methanesulfonamidophenoxy)-2-(N-(4-methanesulfonamidophenethyl)-N-methylamine)ethane; 1-MSPMPE

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Activity

IC50 = 60000 nM

[2]

Compound Name

Ibutilide

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Approved

Compound Info

Synonyms

Corvert; Ibutilida; Ibutilidum; Butilide fumarate; IBUTILIDE FUMARATE; Ibutilide Fumarate [USAN]; U 70226E; U82208E; U82209E; Corvert (TN); Ibutilida [INN-Spanish]; Ibutilide (INN); Ibutilide [BAN:INN]; Ibutilide [INN:BAN]; Ibutilide fumarate (USAN); Ibutilidum [INN-Latin]; U-70226E; U-82208E; U-82209E; Ibutilide, (+-)-isomer; N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide; Ibutilide, fumarate salt (2:1), (+-)-isomer; N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide; N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide; Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (E)-2-butenedioate (2:1) (salt); Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-, (E)-2-butenedioate (2:1) (salt); Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-,(E)-2-butenedioate (2:1) (salt); (+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfoanilide (E)-2-butenedioate (2:1); (+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfonanilide fumarate (2:1) (salt); (+-)-N-(4-(4-(Ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide (E)-butenedioate

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Activity

IC50 = 62500 nM

[1]

Compound Name

Dasatinib

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Approved

Compound Info

Synonyms

Sprycel (TN); BMS 354825; BMS-354825; BMS-354825, Sprycel, BMS354825, Dasatinib; BMS354825; Dasatinib (USAN); Dasatinib [USAN]; Dasatinib anhydrous; Dasatinib, BMS 354825; Dasatinibum; Sprycel; Spyrcel

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Activity

IC50 = 81100 nM

[1]

Compound Name

Sparfloxacin

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Approved

Compound Info

Synonyms

Esparfloxacino; SPFX; Spara; Sparfloxacine; Sparfloxacinum; Zagam; AT 4140; CP 103826; PD 131501; PD131501; AT-4140; CP-103826; DRG-0143; Esparfloxacino [INN-Spanish]; Liposome-encapsulated sparfloxacin; PD 1315-1; PD-131501; RP-64206; Respipac (TN); Sparfloxacin & RU 40555; Sparfloxacine [INN-French]; Sparfloxacinum [INN-Latin]; Zagam (TN); Sparfloxacin, cis-isomer; Sparfloxacin (JAN/USAN/INN); Sparfloxacin [USAN:BAN:INN:JAN]; Cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; (cis)-5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclohexyl-7-(cis-3,5-dimethylpiperazino)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid & RU 40555; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

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Activity

IC50 = 88800 nM

[1]

Compound Name

Cilostazol

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Approved

Compound Info

Synonyms

cilostazol; 73963-72-1; Pletal; Cilostazole; Pletaal; Cilostazolum; OPC-13013; Cilostazolum [INN-Latin]; OPC-21; OPC 13013; OPC 21; UNII-N7Z035406B; CHEBI:31401; C20H27N5O2; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone; BRN 3632107; 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one; 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one; 3,4-Dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-2(1H)-quinolinone; MLS000028470; Cilostazole; Otsuka brand of cilostazol; C 0737; CL23867; Cilostazol [INN:JAN]; Pleta (TN); Pletal (TN); Pletal, Cilostazol; Cilostazol (JP15/USAN/INN); 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxyl)-3,4-dihydrocarobostyril; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-2(1H)-quinolinone; 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one

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Activity

IC50 = 91200 nM

[1]

Compound Name

Mexiletine

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Approved

Compound Info

Synonyms

Mexiletene; Mexiletina; Mexiletinum; Mexilitine; Mexityl; Mexiletine HCL; KO1173; KO-1173; KOE-1173; Mexiletina [INN-Spanish]; Mexiletine (INN); Mexiletine [INN:BAN]; Mexiletinum [INN-Latin]; Mexitil (TN); (+-)-1-(2,6-dimethylphenoxy)propan-2-amine; (2RS)-1-(2,6-dimethylphenoxy)-2-aminopropane; 1-(2',6'-Dimethylphenoxy)-2-aminopropane; 1-(2,6-Dimethylphenoxy)-2-propanamine; 1-(2,6-dimethylphenoxy)propan-2-amine; 1-Methyl-2-(2,6-xylyloxy)ethylamine; 1-methyl-2-(2,6-xylyloxy)ethanamine; 2-(2-Aminopropoxy)-1,3-DiMethyl-Benzene Hydrochloride; 2-(2-aminopropoxy)-1,3-dimethylbenzene

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Activity

IC50 = 100000 nM

[2]

Compound Name

Linezolid

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Approved

Compound Info

Synonyms

Linezlid; ZLD; Zyvox; Zyvoxa; Zyvoxam; Zyvoxid; PNU 100766; U 100766; Linezolid & VRC3375; Linezolid [USAN:INN]; PNU-100766; U-100766; Zyvox (TN); Zyvoxam (TN); Zyvoxid (TN); NDA 21-130 Zyvox (linezolid tablets); NDA 21-131 Zyvox for injection (linezolid injection); NDA 21-132 Zyvox oral suspension (linzolid oral suspension); Linezolid (JAN/USAN/INN); PNU-100766, U-100766, Zyvoxid, Zyvoxam, Linezolid; N-((3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-(((S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide; N-({5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, N-[[(S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; (S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; 111GE017

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Activity

IC50 = 105400 nM

[1]

Compound Name

Sitagliptin

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Approved

Compound Info

Synonyms

486460-32-6; Januvia; Xelevia; Sitagliptan; MK-0431; UNII-QFP0P1DV7Z; Tesavel; QFP0P1DV7Z; (3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE; CHEBI:40237; (R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; Janumet; Sitagliptin phosphate; Januvia (TN); Sitagliptin (PropINN); Januvia (merck & Co); (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; Sitagliptin/atovastatin

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Activity

IC50 = 147100 nM

[1]

Compound Name

Ceftriaxone

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Approved

Compound Info

Synonyms

Biotrakson; CTRX; Cefatriaxone; Ceftriaxon; Ceftriaxona; Ceftriaxonum; Ceftriazone; Longacef; Longaceph; Rocefin; Rocephin; Rocephine; CEFTRIAXONE SODIUM; Ceftriaxone intravenous; Ro 139904; Ceftriaxona [INN-Spanish]; Ceftriaxone (INN); Ceftriaxone (TN); Ceftriaxone [USAN:JAN]; Ceftriaxone, Disodium Salt; Ceftriaxonum [INN-Latin]; DRG-0071; Ro13-9904; Rocephin (TN); Ceftriaxone, Disodium Salt, Hemiheptahydrate; Ro-13-9904; (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), sesquaterhydrate; (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid

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Activity

IC50 = 153800 nM

[1]

Compound Name

Metronidazole

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Approved

Compound Info

Synonyms

APMN; Acromona; Anagiardil; Arilin; Atrivyl; Bexon; CONT; Clont; Danizol; Deflamon; Efloran; Elyzol; Entizol; Eumin; Flagemona; Flagesol; Flagil; Flagyl; Flegyl; Florazole; Fossyol; Giatricol; Gineflavir; Giniflavir; Klion; Klont; Meronidal; Methronidazole; Metric; MetroCream; MetroGel; MetroLotion; Metrodzhil; Metrogyl; Metrolag; Metrolyl; Metromidol; Metronidaz; Metronidazol; Metronidazolo; Metronidazolum; Metrotop; Metrozine; Metryl; Mexibol; Monagyl; Monasin; NIDA; Nalox; Nidagel; Noritate; Novonidazol; Orvagil; Protostat; Rathimed; Rosased; Sanatrichom; Satric; Takimetol; Trichazol; Trichex; Trichocide; Trichomol; Trichopal; Trichopol; Tricocet; Tricom; Trikacide; Trikamon; Trikojol; Trikozol; Trimeks; Trivazol; Vagilen; Vagimid; Vandazole; Vertisal; Wagitran; Zadstat; Zidoval; Flagyl Er; Ginefla vir; METRONIDAZOLE USP; Metro Cream; Metro Gel; Metronidazole Monohydrochloride; Metronidazole Phosphoester; Metronidazole in Plastic Container; Metronidazolo [DCIT]; Tricho cordes; Trichomonacid pharmachim; Tricowas B; Bayer 5360; Flagyl 375; M0924; Metric 21; RP 8823; SC 10295; Anabact (TN); Apo-Metronidazole; Deflamon-wirkstoff; Flagyl (TN); IDR-90105; METRO I.V; MetroGel (TN); MetroGel-Vaginal; Metronidazol [INN-Spanish]; Metronidazolum [INN-Latin]; Mexibol (silanes); Neo-Tric; Noritate (TN); RP-8823; Rozex (TN); Tricho-gynaedron; ZERO/004064; CB-01-14 MMX; FLAGYL I.V. RTU IN PLASTIC CONTAINER; Flagyl I.V.; Flagyl I.V. RTU; Metro I.V.; Metro I.V. In Plastic Container; Metrogel-vaginal (TN); Metronidazole (JP15/USP/INN); Metronidazole [USAN:INN:BAN:JAN]; Methyl-5-nitroimidazole-1-ethanol; 1-Hydroxyethyl-2-methyl-5-nitroimidazole; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; 2-Methyl-5-nitro-1-imidazoleethanol; 2-Methyl-5-nitroimidazole-1-ethanol; MNZ

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Activity

IC50 = 177900 nM

[1]

Compound Name

Sotalol

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Approved

Compound Info

Synonyms

Sotalolum; Darob mite; Sotalol Monohydrochloride; Beta-Cardone; Betapace (TN); Betapace AF (TN); Darob mite (TN); MJ-1999; Sotacor (TN); Sotalex (TN); Sotalol (INN); Sotalol [INN:BAN]; Sotalolum [INN-Latin]; D,l-Sotalol; N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide; N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide; N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide; Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-(9CI); 4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid

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Activity

IC50 = 193300 nM

[1]

Compound Name

Paliperidone

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Compound Info

Synonyms

Xeplion; Invega Sustenna; Paliperidone palmitate; JNS-010; Paliperidone (depot injection, NanoCrystal); Paliperidone (injectable, NanoCrystal), Elan; Paliperidone (depot injection, NanoCrystal), Johnson & Johnson

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Activity

IC50 = 193900 nM

[1]

Compound Name

(18R)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

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Investigative

Compound Info

Synonyms

NSC-15627; CHEMBL2105617; BDBM50088366

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Activity

IC50 = 71000 nM

[2]

Compound Name

4-[4-Amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-[(5S,6R)-2,2,5,6-tetramethyl-3-oxomorpholin-4-yl]benzonitrile

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Investigative

Compound Info

Synonyms

CHEMBL4091875; BDBM50245571

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Activity

IC50 ~ 80000 nM

[3]

Compound Name

Chembl4172669

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Investigative

Compound Info

Synonyms

SCHEMBL21744267; BDBM50449944

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Activity

IC50 ~ 80000 nM

[4]

Compound Name

Ethyl (4S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate

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Investigative

Compound Info

Synonyms

CHEMBL4067388; BDBM50264654

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Activity

IC50 = 90080 nM

[5]

Click to Show/Hide the Information of All Poor Binders

Non Binders of This Target (in total, 8 non binders)

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Compound Name

Raltegravir

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Approved

Compound Info

Synonyms

RGV; MK 0518; Isentress(TM); K-0518; MK-0518; Raltegravir (INN); N-(2-(4-(4-fluorobenzylcarbamoyl); N-((4-Fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxamide; RAL

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Activity

IC50 = 246700 nM

[1]

Compound Name

Pentobarbital

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Approved

Compound Info

Synonyms

Aethaminalum; Dorsital; Etaminal; Ethaminal; Mebubarbital; Mebumal; Nebralin; Nembutal; Neodorm; Pentabarbital; Pentabarbitone; Pentobarbitale; Pentobarbitalum; Pentobarbitone; Pentobarbiturate; Rivadorm; Pentobarbital calcium; Pentobarbital suppository dosage form; Pentobarbitale [DCIT]; Pentobarbituric acid; Ethyl-propylmethylcarbinylbarbituric acid; Nembutal (TN); Nembutal (VAN); Neodorm (VAN); Neodorm (new); Pentobarbital (VAN); Pentobarbital [USP:INN]; Pentobarbital, Monosodium Salt; Pentobarbitalum [INN-Latin]; Pentobarbitone (VAN); Pentobarbital (USP/INN); (+-)-5-Ethyl-5-(1-methylbutyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-(1-methylbutyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)malonylurea; 5-Ethyl-5-(sec-pentyl)barbituric acid; 5-ethyl-2-hydroxy-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione; 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

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Activity

IC50 = 299000 nM

[1]

Compound Name

Procainamide

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Approved

Compound Info

Synonyms

Biocoryl; Novocainamid; Novocainamide; Novocamid; Procainamida; Procainamidum; Procamide; Procan; Procanbid; Procapan; Pronestyl; Novocaine amide; Procaine amide; P-Aminobenzoic diethylaminoethylamide; Procainamida [INN-Spanish]; Procainamide (INN); Procainamide [INN:BAN]; Procainamidum [INN-Latin]; Procan (TN); Procanbid (TN); Procapan (free base); Pronestyl (TN); Pronestyl-Sr; P-Amino-N-(2-diethylaminoethyl)benzamide; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-(9CI); 2-Diethylaminoethylamid kyseliny p-aminobenzoove; 2-Diethylaminoethylamid kyseliny p-aminobenzoove [Czech]; 4-Amino-N-(2-(Diethylamino)Ethyl)Benzamide Sulfate; 4-Amino-N-(2-(diethylamino)ethyl)benzamide; 4-Amino-N-[2-(diethylamino)ethyl]benzamide; 4-amino-N-(2-diethylaminoethyl)-benzamide; 4-amino-N-(2-diethylaminoethyl)benzamide

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Activity

IC50 = 389500 nM

[1]

Compound Name

Voriconazole

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Approved

Compound Info

Synonyms

VCZ; Vfend; Pfizer brand of voriconazole; UK 109496; Voriconazole in combination with MGCD290; DRG-0301; UK 109,496; UK-109496; VFEND (TN); Vfend (TN); Vfend, Voriconazole; UK-109,496; Voriconazole [USAN:INN:BAN]; Voriconazole (JAN/USAN/INN); (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; VRC

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Activity

IC50 = 414200 nM

[1]

Compound Name

Ribavirin

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Approved

Compound Info

Synonyms

ribavirin; 36791-04-5; Tribavirin; Rebetol; Virazole; Ribavirine; Copegus; Vilona; Ribamide; Ribasphere; Ribamidil; Viramid; Ribamidyl; Ribavirinum; Ribavirina; Rebetron; Varazid; RTCA; Ribavirin Capsules; Ribavirinum [INN-Latin]; Ribavirine [INN-French]; Ribavirina [INN-Spanish]; ICN-1229; Rebretron; Virazid; Ribav; 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide; DRG-0028; 1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide; UNII-49717AWG6K; Ribavirin (Copegus); Copegus; Cotronak; RBV; RTC; Ravanex; Ribacine; Ribovirin; Viramide; Virazide; R 9644; SCH 18908; C-Virin; Copegus (TN); Drug: Ribavirin; KS-1104; R-964; RG-964; Rebetol (TN); Ribasphere (TN); Ribavirin [USAN:INN]; Vilona (TN); Virazole (Ribavirin) Inhalation Solution; Virazole (TN); AA-504/07617051; Ro 20-9963/000; Ro-20-9963; Ribavirin (JAN/USP/INN); 1-beta-D-Ribofuranosyl-1,2,4-triazolo-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide; 1-beta-D-ribofuranosyl-1-H-1,2,4-triazole-3-carboxamide; RBI034 (2-5A antisense compound) + Ribavirin

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Activity

IC50 = 622500 nM

[1]

Compound Name

Telbivudine

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Approved

Compound Info

Synonyms

Epavudine; LLT; LdT; Sebivo; Telbivudin; Tyzeka; Telbivudine [USAN]; LDT600; NB 02B; NV 02B; L-Deoxythymidine; L-Thymidine; L-dT; LDT-600; NV-02B; Tyzeka (TN); Beta-L-Thymidine; Telbivudine (USAN/INN); Tyzake/Sebivo (TN); Tyzeka, Sebivo, Telbivudine; 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 1-(2-Deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 2'-Deoxy-L-thymidine

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Activity

IC50 = 713900 nM

[1]

Compound Name

Disopyramide

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Approved

Compound Info

Synonyms

Dicorantil; Disopiramida; Disopyramidum; Isorythm; Lispine; Ritmodan; Rythmodan; Disopyramide Free Base; Rythmodan P; D 7644; H 3292; SC 7031; Searle 703; Disopiramida [INN-Spanish]; Disopyramidum [INN-Latin]; Norpace (TN); Rythmodan (TN); Rythmodan P (TN); Rythmodan-La; SC-7031; Xi-Disopyramide; Disopyramide (JP15/USAN/INN); Disopyramide [USAN:BAN:INN:JAN]; Alpha-Diisopropylaminoethyl-alpha-phenylpyridine-2-acetamide; Gamma-Diisopropylamino-alpha-phenyl-alpha-(2-pyridyl)butyramide; Alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide; Alpha-[2-[Bis(1-methylethyl)amino]ethyl]-alpha-phenyl-2-pyridine acetamide; 4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanamide; 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide

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Activity

IC50 = 1036700 nM

[1]

Compound Name

Piperacillin

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Approved

Compound Info

Synonyms

PIPC; Peperacillin; Peracin; Pipercillin; Pipracil; Pipril; PIPERACILLIN SODIUM; Piperacillin Monosodium Salt; Piperacillin anhydrous; Cl-227193; Peracin (TN); Piperacillin (INN); Piperacillin (anhydrous); Pipracil, Piper; T-1220; Zobactin (TN); (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S-(2alpha,5alpha,6beta(S*)))-6-(((((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-ethyl-2,3-dioxopiperazine carbonyl ampicillin; 6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanicacid; 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid

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Activity

IC50 = 1226000 nM

[1]

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References

Top

REF 1

MICE models: superior to the HERG model in predicting Torsade de Pointes. Sci Rep. 2013;3:2100.

REF 2

Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk. Cardiovasc Res. 2011 Jul 1;91(1):53-61.

REF 3

Identification of highly potent and selective PI3K inhibitors. Bioorg Med Chem Lett. 2017 Jul 1;27(13):2849-2853.

REF 4

Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem. 2018 Aug 23;61(16):7168-7188.

REF 5

Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem. 2017 Apr 21;130:60-72.

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