Bioactive Compound Details

BioIDbio200042
NameBIRABRESIB
ChEMBL IDCHEMBL3581647
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.0
Molecular Weight (Monoisotopic)491.1183
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsBIRABRESIB|MK-8628|OTX-015|OTX-015 ANHYDROUS|OTX015|OTX015 ANHYDROUS|Y-803 ANHYDROUS
SmilesCc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2
InchiInChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
Inchi KeyGNMUEVRJHCWKTO-FQEVSTJZSA-N
Molecular SpeciesNEUTRAL
Targets42.0
Bioactivities159.0
Np Likeness Score-1.2
Records Key['3; OTX-015', '4, OTX015', '3; OTX-015; MK8628', 'OTX015', 'OTX015', 'IV; OTX-015; MK8658', '3; OTX-015, MK8628', 'BIRABRESIB', 'BIRABRESIB', 'COVC-0672169814', '3', 'OTX015', 'OTX015', '2; OTX015', '41; OTX015', '2; OTX015', 'OTX-015; 2', '4; OTX-015', 'OTX-015', 'OTX015', 'OTX-015', 'OTX015', 'OTX-015; MK-8628', 'OTX015', 'OTX015', 'OTX-015', '1c', 'OTX-015; MK-8628', 'OTX015', '36, OTX015', '13b; OTX015', 'OTX-015', 'EOS101520', 'OTX-015']
Records Name['2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'OTX015', 'OTX015', '2-((6S,Z)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-((6S,Z)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'BIRABRESIB', 'BIRABRESIB', 'OTX015', 'Birabresib', 'OTX015', 'OTX015', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-((6S,Z)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-[(S)-4-(4-Chloro-phenyl)-2,3,9-trimethyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-6-yl]-N-(4-hydroxy-phenyl)-acetamide', '2-[(S)-4-(4-Chloro-phenyl)-2,3,9-trimethyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-6-yl]-N-(4-hydroxy-phenyl)acetamide', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'OTX015', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'OTX015', 'Birabresib', None, '(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'Birabresib', 'Birabresib', '(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', None, '2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', '(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide', 'OTX015', '(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamid
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure