Bioactive Compound Details

BioIDbio200490
NameMOLIBRESIB
ChEMBL IDCHEMBL1232461
Molecular FormulaC22H22ClN5O2
Molecular Weight423.9
Molecular Weight (Monoisotopic)423.1462
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsBET INHIBITOR GSK525762|GSK-525762|GSK-525762A|GSK525762|GSK525762A|I-BET 762|MOLIBRESIB
SmilesCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21
InchiInChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
Inchi KeyAAAQFGUYHFJNHI-SFHVURJKSA-N
Molecular SpeciesNEUTRAL
Targets58.0
Bioactivities278.0
Np Likeness Score-0.99
Records Key['2, I-BET-762', '3, I-BET762, GSK525762A', '3, I-BET762, GSK525762A', 'I-BET762', '2; I-BET762', 'SID174006338', '5921', '2; I-BET762', '2, GSK525762A', '1, I-BET, I-BET762', 'III; I-BET762; GSK-525762A', '2, I-BET762', 'SID174007117', 'I-BET-762', 'MOLIBRESIB', '2; I-BET762', '2; I-BET762', 'MOLIBRESIB', 'I-BET762', '1; I-BET762', '10; I-BET762', '2, I-BET762', '2; I-BET762', 'GSK525762A, I-BET, I-BET762', '2', 'IBET', 'i-BET', '4; I-BET762', 'I-BET-762', '1; I-BET762', '2; GSK525762A', '2; I-BET762', '12, GSK525762A, I-BET', '1; I-BET762', '2; I-BET762', '1; i-BET762', 'GSK 525762A', 'I-BET-762', 'GSK 525762A', '1; GSK-525762', 'I-BET, GSK525762A', 'I-BET-762', 'I-BET-762', '132', '2; I-BET762; GSK525762', 'EOS101485', '1; I-BET762', '1', '1; IBET762', '2; GSK-525762', '6; iBET', 'GSK525762']
Records Name['2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', 'SID174006338', None, '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-Nethylacetamide', '2-((4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo-[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', 'SID174007117', 'I-BET-762', 'MOLIBRESIB', '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', 'MOLIBRESIB', '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide', '2-((4S,Z)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]d
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure