Bioactive Compound Details

BioIDbio2989
NamePEXACERFONT
ChEMBL IDCHEMBL482950
Molecular FormulaC18H24N6O
Molecular Weight340.43
Molecular Weight (Monoisotopic)340.2012
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBMS-562086|BMS562086|CRF1 ANTAGONIST|DPC-A69448|PEXACERFONT|Pexacerfont
SmilesCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InchiInChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
Inchi KeyLBWQSAZEYIZZCE-SNVBAGLBSA-N
Molecular SpeciesNEUTRAL
Targets48.0
Bioactivities1195.0
Np Likeness Score-1.5
Records Key['PEXACERFONT', 'PEXACERFONT', 'BMS-562086, pexacerfont, DPC-A69448', '13-15', 'Pexacerfont', '6, BMS-562086', 'EUB0000840a', 'EUB0000840a', 'EUB0000840a', 'EUB0000840a', 'EUB0000840a']
Records Name['PEXACERFONT', 'PEXACERFONT', '8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1R)-1-methylpropyl]pyrazolo(1,5-a)-1,3,5-triazin-4-amine]', '((R)-sec-Butyl)-[8-(6-methoxy-2-methyl-pyridin-3-yl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-amine', 'Pexacerfont', '((R)-sec-Butyl)-[8-(6-methoxy-2-methyl-pyridin-3-yl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-amine', 'PEXACERFONT', 'PEXACERFONT', 'PEXACERFONT', 'PEXACERFONT', 'PEXACERFONT']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure