IBD Research Resource Center

BioID	bio200509
Name	EZOBRESIB
ChEMBL ID	CHEMBL4297458
Molecular Formula	C30H33N5O2
Molecular Weight	495.63
Molecular Weight (Monoisotopic)	495.2634
Type	Small molecule
Max Phase	Phase 1
Target ID	Tar81
Target Name	None
Synonyms	BET INHIBITOR BMS-986158\|BMS-986158\|EZOBRESIB
Smiles	Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
Inchi	InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
Inchi Key	KGERZPVQIRYWRK-GDLZYMKVSA-N
Molecular Species	NEUTRAL
Targets	41.0
Bioactivities	154.0
Np Likeness Score	-0.43
Records Key	['EZOBRESIB', '1; BMS-986158', '18; BMS-986158', '1; BMS-986158', 'BMS-986158', 'EZOBRESIB']
Records Name	['EZOBRESIB', '(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol', '(S)-2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[oxan-4-yl(phenyl)-methyl)-5H-pyrido[3,2-b]indol-7-yl]propan-2-ol', '(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol', '(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol', 'EZOBRESIB']
Withdrawn Flag	False
Orphan	0