General
Preferred name
MARAVIROC
Synonyms
Maraviroc (UK-427857) ()
Celsentri,UK-427857 ()
P&D ID
PD011057
CAS
376348-65-1
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Selective CCR5 antagonist (Tocriscreen Plus)
DESCRIPTION Selective EP1 receptor antagonist (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
4
ReFrame library
Selleckchem Bioactive Compound Library
Maraviroc
Tocris Bioactive Compound Library
3756
Tocriscreen Plus
3756
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
513.33
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
2
cLogP
5.95
TPSA
63.05
Fraction CSP3
0.69
Chiral centers
3.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
Chemokine CC Receptors
MOA
Antagonist
Target
CCR,HIV
Source data