Bioactive Compound Details

BioIDbio3181
NameMARAVIROC
ChEMBL IDCHEMBL1201187
Molecular FormulaC29H41F2N5O
Molecular Weight513.68
Molecular Weight (Monoisotopic)513.3279
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCelsentri|MARAVIROC|Maraviroc|Rel-Maraviroc|SELZENTRY|UK-427,857|UK-427857
SmilesCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
InchiInChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1
Inchi KeyGSNHKUDZZFZSJB-QYOOZWMWSA-N
Molecular SpeciesBASE
Targets36.0
Bioactivities64.0
Np Likeness Score-0.85
Records Key['MARAVIROC', 'Maraviroc', 'BDBM160935', '1', 'MARAVIROC', 'MARAVIROC', 'MARAVIROC', 'MARAVIROC', 'Maraviroc', 'Maraviroc', 'MARAVIROC', 'Maraviroc', 'COVC-3894652100', 'maraviroc', 'Maraviroc', 'MARAVIROC']
Records Name['MARAVIROC', 'Maraviroc', 'US9107954, maraviroc', 'Maraviroc', 'MARAVIROC', 'MARAVIROC', 'MARAVIROC', 'MARAVIROC', 'Maraviroc', 'Maraviroc', 'MARAVIROC', 'Maraviroc', 'MARAVIROC', 'maraviroc', 'Maraviroc', 'MARAVIROC']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure