Bioactive Compound Details

BioIDbio1973
NameREVUMENIB
ChEMBL IDCHEMBL4650827
Molecular FormulaC32H47FN6O4S
Molecular Weight630.83
Molecular Weight (Monoisotopic)630.3364
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsREVUMENIB
SmilesCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C
InchiInChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-
Inchi KeyFRVSRBKUQZKTOW-YOCNBXQISA-N
Molecular SpeciesBASE
Targets13.0
Bioactivities34.0
Np Likeness Score-1.6
Records Key['REVUMENIB', 'REVUMENIB', 'EUB0001103a', 'EUB0001103a']
Records Name['REVUMENIB', 'REVUMENIB', 'SNDX-5613', 'SNDX-5613']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure