Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G6SZ
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| Former ID |
DCL000305
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| Drug Name |
GW873140
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| Synonyms |
Aplaviroc; Aplaviroc HCl; Aplaviroc hydrochloride; AK 602; AK602; GSK873140; GW 873140; ONO 4128; AK-602; Aplaviroc hydrochloride (USAN); GW-873140; ONO-4128; Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-& Soluble CD4; 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid; 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid hydrochloride; 873140 Compound
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus-1 infection [ICD-11: 1C62; ICD-10: B20-B24] | Discontinued in Phase 3 | [1], [2] | |
| Company |
GlaxoSmithKline
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| Structure |
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Download2D MOL |
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| Formula |
C33H43N3O6
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| Canonical SMILES |
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O
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| InChI |
1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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| InChIKey |
GWNOTCOIYUNTQP-FQLXRVMXSA-N
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| CAS Number |
CAS 461443-59-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 5 (CCR5) | Target Info | Binder | [3], [4] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| Endocytosis | ||||
| Toxoplasmosis | ||||
| Viral carcinogenesis | ||||
| NetPath Pathway | TSLP Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathway Interaction Database | IL12-mediated signaling events | |||
| Reactome | Binding and entry of HIV virion | |||
| Chemokine receptors bind chemokines | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | TCR Signaling Pathway | |||
| GPCRs, Class A Rhodopsin-like | ||||
| HIV Life Cycle | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 805). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018317) | |||
| REF 3 | In vitro and clinical investigation of the relationship between CCR5 receptor occupancy and anti-HIV activity of Aplaviroc. J Clin Pharmacol. 2008 Oct;48(10):1179-88. | |||
| REF 4 | Progress in targeting HIV-1 entry. Drug Discov Today. 2005 Aug 15;10(16):1085-94. | |||
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