Aplaviroc

Summary

Aplaviroc (CHEMBL1255794) is a phase-3 clinical-stage small molecule targeting CCR5.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Targets: 1 (CCR5)
• Clinical trials: 7
• Chemistry: 577.7 Da · C33H43N3O6

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1255794
Name	Aplaviroc
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	3001322
Molecular formula	C33H43N3O6
Molecular weight	577.7
InChIKey	GWNOTCOIYUNTQP-FQLXRVMXSA-N

SMILES: CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O

IUPAC name: 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid

Also known as: AK-602, Aplaviroc, GSK-873140, GW-873140, GW873140, aplaviroc, APLAVIROC

Parent form; salt/anhydrous children: CHEMBL1668019

Patent coverage: 304 distinct patent families (916 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
CCR5	CCR5	Antagonist	8.5	0.7%	P51681

Broader ChEMBL bioactivity targets: 2 (assay-derived). Sample: C-C chemokine receptor type 5, C-C chemokine receptor type 5.

Bioactivity

ChEMBL activities: 2 potent at pChembl ≥ 5 of 2 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
P51682	9.4	IC50	0.4	nM	CHEMBL_ACT_18393156
CCR5	8.52	Kd	3	nM	CHEMBL_ACT_12149734

Target pathways

Aggregated over 1 target gene(s): CCR5.

Top Reactome pathways

19 total, by targets touching each:

Pathway	Targets	Genes
Cytokine Signaling in Immune system	1	CCR5
Signal Transduction	1	CCR5
HIV Life Cycle	1	CCR5
Early Phase of HIV Life Cycle	1	CCR5
HIV Infection	1	CCR5
Disease	1	CCR5
Immune System	1	CCR5
Binding and entry of HIV virion	1	CCR5
Signaling by GPCR	1	CCR5
Class A/1 (Rhodopsin-like receptors)	1	CCR5
Peptide ligand-binding receptors	1	CCR5
Chemokine receptors bind chemokines	1	CCR5
GPCR downstream signalling	1	CCR5
G alpha (i) signalling events	1	CCR5
Signaling by Interleukins	1	CCR5
GPCR ligand binding	1	CCR5
Infectious disease	1	CCR5
Interleukin-10 signaling	1	CCR5
Viral Infection Pathways	1	CCR5

Dominant GO biological processes

GO term	Targets
MAPK cascade	1
dendritic cell chemotaxis	1
calcium ion transport	1
apoptotic process	1
chemotaxis	1
inflammatory response	1
immune response	1
cellular defense response	1
cell surface receptor signaling pathway	1
G protein-coupled receptor signaling pathway	1
positive regulation of cytosolic calcium ion concentration	1
cell-cell signaling	1
release of sequestered calcium ion into cytosol by sarcoplasmic reticulum	1
calcium-mediated signaling	1
signaling	1

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 7.

Phase distribution

Phase	Trials
PHASE3	4
PHASE2	3

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00123890	PHASE3	TERMINATED	Screening Protocol To Determine Eligibility For Studies Of The Chemokine Coreceptor 5 (CCR5) Antagonist GW873140
NCT00197145	PHASE3	TERMINATED	Study Of Chemokine Coreceptor 5 (CCR5) Antagonist GW873140 In R5-Tropic Treatment-Experienced HIV-Infected Subjects
NCT00197197	PHASE3	TERMINATED	Study Of Chemokine Coreceptor 5 (CCR5) Antagonist GW873140 In R5/X4-Tropic Treatment-Experienced HIV-Infected Subjects
NCT00297076	PHASE3	TERMINATED	Chemokine Coreceptor 5 (CCR5) Antagonist GW873140 In R5-Tropic Treatment-Experienced HIV-Infected Subjects
NCT00076284	PHASE2	COMPLETED	GW873140 to Treat HIV-1 Infected Adults
NCT00102778	PHASE2	TERMINATED	GW873140 In Combination With Kaletra In HIV Infected Subjects
NCT00104429	PHASE2	TERMINATED	GW873140 In Combination With Combivir In HIV Infected Subjects

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

13 molecules share ≥1 primary target. Top 13 by shared-target count:

Molecule	Source	Status	Shared targets
ABAMETAPIR	ChEMBL	Phase 4 (approved)	CCR5
DISULFIRAM	ChEMBL	Phase 4 (approved)	CCR5
MARAVIROC	ChEMBL	Phase 4 (approved)	CCR5
TERFENADINE	ChEMBL	Phase 4 (approved)	CCR5
CENICRIVIROC	ChEMBL	Phase 3	CCR5
VICRIVIROC	ChEMBL	Phase 3	CCR5
ANCRIVIROC	ChEMBL	Phase 2	CCR5
AZD5672	ChEMBL	Phase 2	CCR5
BMS-741672	ChEMBL	Phase 2	CCR5
BMS-813160	ChEMBL	Phase 2	CCR5
INCB-9471	ChEMBL	Phase 2	CCR5
JNJ-17166864 CATION	ChEMBL	Phase 2	CCR5
Mavorixafor	PubChem	Approved	CCR5