General
Preferred name
APLAVIROC
Synonyms
APLAVIROC HYDROCHLORIDE ()
GSK 873140 ()
ONO-4128 ()
GW 873140 ()
AK 602 ()
GW873140 ()
Aplaviroc (hydrochloride) ()
AK602 (hydrochloride) ()
GSK-873140 (hydrochloride) ()
GW-873140 (hydrochloride) ()
AK-602 ()
GSK-873140 ()
GW-873140 ()
GW-873140A ()
Aplaviroc hcl ()
GW873140A ()
P&D ID
PD047503
CAS
461443-59-4
461023-63-2
Tags
available
drug candidate
Drug indication
Human immunodeficiency virus-1 infection
HIV infection
Drug Status
investigational
Max Phase
3.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Aplaviroc was being investigated in clinical trial as a potential treatment for HIV infection. Concerns over liver toxicity and low efficacy lead to termination of the development project.
(GtoPdb)
PRICE
1711
DESCRIPTION
Aplaviroc (AK 602) hydrochloride, a SDP derivative, is a CCR5 antagonist, with IC50s of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW.
DESCRIPTION
Aplaviroc is a potent non-competitive CCR5 receptor allosteric antagonist with IC50 of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Aplaviroc (AK 602), an SDP derivative, is a CCR5 antagonist with IC50 values of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL, and HIV-1MOKW.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
12
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
DrugBank
DrugMAP
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
577.32
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
5
Aromatic Ring Count
2
cLogP
4.58
TPSA
119.41
Fraction CSP3
0.55
Chiral centers
2.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CCR5
HIV
CCR
Pathway
GPCR/G protein
Immunology/Inflammation
Microbiology/virology
Proteases/Proteasome
Anti-infection
Solubility
Soluble in DMSO
Source data
