Bioactive Compound Details

BioIDbio3540
NameSELONSERTIB
ChEMBL IDCHEMBL3916717
Molecular FormulaC24H24FN7O
Molecular Weight445.5
Molecular Weight (Monoisotopic)445.2026
TypeSmall molecule
Max PhasePhase 3
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsGS-4997|SELONSERTIB
SmilesCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InchiInChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
Inchi KeyYIDDLAAKOYYGJG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets335.0
Bioactivities728.0
Np Likeness Score-1.79
Records Key['SELONSERTIB', 'selonsertib', '4; GS-4997', '3', 'COVC-3370899793', '4', '2; GS-4997', 'selonsertib', 'SELONSERTIB', '2; GS-4997', '1; GS-4997', '6; GS-4997', '2; GS-4997', 'EUB0000695a', '2', 'EOS101171', 'GS-4997', 'EUB0000695a', 'EUB0000695a', 'EUB0000695a', 'EUB0000695a', 'EUB0000695a', 'EUB0000695a']
Records Name['SELONSERTIB', 'selonsertib', 'Selonsertib', '5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-isopropyl-1,2,4-triazol-3-yl)-2-pyridyl]-4-methyl-benzamide', 'SELONSERTIB HYDROCHLORIDE', '5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide', 'Selonsertib', 'selonsertib', 'SELONSERTIB', '5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide', '5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide', '5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide', '5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide', 'Selonsertib', 'Selonsertib', 'selonsertib', 'Selonsertib', 'Selonsertib', 'Selonsertib', 'Selonsertib', 'Selonsertib', 'Selonsertib', 'Selonsertib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure