Drug Information

Drug General Information
Drug ID
D0G6SZ
Former ID
DCL000305
Drug Name
GW873140
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
Drug Type
Small molecular drug
Indication HIV-1 infection [ICD9: 001-139, 042; ICD10:B20-B24] Discontinued in Phase 3 [542944], [547670]
Company
GlaxoSmithKline
Structure
Download
2D MOL

3D MOL
Formula
C33H43N3O6
InChI
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
InChIKey
GWNOTCOIYUNTQP-FQLXRVMXSA-N
CAS Number
CAS 675184-11-9
PubChem Compound ID
3001322
PubChem Substance ID
617581, 7842087, 10743060, 16567269, 34667159, 75593652, 111610875, 123098627, 124954238, 125086447, 135246722, 135649948, 137156477, 137263435, 139123524, 163347361, 198945612, 223709868, 223709869, 223709870, 223709943, 223709946, 223709947, 230493556, 248463159
Target and Pathway
Target(s) C-C chemokinereceptor type 5 Target Info Binder [536143], [536797]
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
Ref 542944(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 547670Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018317)
Ref 536143Progress in targeting HIV-1 entry. Drug Discov Today. 2005 Aug 15;10(16):1085-94.
Ref 536797In 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. Epub 2008 Aug 1.

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