Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08ZZJ
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| Former ID |
DNC012487
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| Drug Name |
R-87027
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| Synonyms |
Tivirapine; UNII-7WP69N3Y3Y; 8-Chloro-TIBO; 137332-54-8; CHEMBL58711; 7WP69N3Y3Y; NSC636661; 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE; R-87027; Tivirapine [INN]; Tivirapin; 1uwb; NSC-636661; NSC 636661; 8-ClTIBO; 8-Cl-TIBO; AC1MHD41; TBO 8; SCHEMBL377308; TIBO R86183; DTXSID00160138; TBO 8; TIBO R86183; BDBM50369418; DB08600; R86183; (5R)-5beta-Methyl-6-(3-methyl-2-butenyl)-8-chloro-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H20ClN3S
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| Canonical SMILES |
CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Cl)NC2=S
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| InChI |
1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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| InChIKey |
ZNFFMCYSMBXZQU-NSHDSACASA-N
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| CAS Number |
CAS 137332-54-8
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Reverse transcriptase (HIV RT) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method. J Med Chem. 1998 Dec 17;41(26):5272-86. | |||
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