Bioactive Compound Details

BioIDbio200561
NameOBATOCLAX
ChEMBL IDCHEMBL408194
Molecular FormulaC20H19N3O
Molecular Weight317.39
Molecular Weight (Monoisotopic)317.1528
TypeSmall molecule
Max PhasePhase 3
Target IDTar81
Target NameNone
SynonymsGX15-070|OBATOCLAX
SmilesCOC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C
InchiInChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-
Inchi KeyRFTSSZJZXOSICM-GRSHGNNSSA-N
Molecular SpeciesNEUTRAL
Targets27.0
Bioactivities63.0
Np Likeness Score-0.15
Records Key['obatoclax, GX15-070', '3', 'Obatoclax', 'Obatoclax, GX015-070', 'obatoclax 3x 72h EC50', 'obatoclax 72h EC50', 'GX015-070', '18', '4343', 'GX15-070', 'OBATOCLAX', 'Obatoclax']
Records Name['2-(5-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-4-methoxy-5H-pyrrol-2-yl)-1H-indole', 'obatoclax', '2-(5-((3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl)-4-methoxy-1H-pyrrol-2-yl)-1H-indole', 'Obatoclax', 'obatoclax', 'obatoclax', 'Obatoclax', '2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole', None, 'Obatoclax', 'OBATOCLAX', 'Obatoclax']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure