General
Preferred name
APLAVIROC HYDROCHLORIDE
Synonyms
Aplaviroc (hydrochloride) ()
AK602 (hydrochloride) ()
GSK-873140 (hydrochloride) ()
GW-873140 (hydrochloride) ()
GW-873140A ()
Aplaviroc hcl ()
GW873140A ()
P&D ID
PD086025
CAS
461023-63-2
Tags
drug candidate
available
Drug Status
investigational
Max Phase
3.0
Drug indication
HIV infection
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 (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.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
3
ChEMBL Drugs
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Molecular Weight
613.29
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
5
Aromatic Ring Count
2
cLogP
5.84
TPSA
122.9
Fraction CSP3
0.55
Chiral centers
2.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CCR
HIV
Pathway
Anti-infection
GPCR/G protein
Immunology/Inflammation
Source data
