Ezobresib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H33N5O2
Molecular Weight	495.6153
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=NC(C)=C1C2=CN=C3C(=C2)N([C@@H](C4CCOCC4)C5=CC=CC=C5)C6=C3C=CC(=C6)C(C)(C)O

InChI

InChIKey=KGERZPVQIRYWRK-GDLZYMKVSA-N

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

HIDE SMILES / InChI

Molecular Formula	C30H33N5O2
Molecular Weight	495.6153
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bromodomain-containing protein 4 13 Target ID: CHEMBL1163125 Sources: https://www.cancer.gov/publications/dictionaries/cancer-drug/def/bet-inhibitor-bms-986158 \| https://adisinsight.springer.com/drugs/800042298	Inhibitor 8297		5.0 nM [IC50]

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:48:27 UTC 2023` Edited by `admin` on `Sat Dec 16 14:48:27 UTC 2023`
Record UNII	X8BW0MQ5PI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ezobresib

Official Name

English

BET INHIBITOR BMS-986158

Common Name

English

5H-Pyrido[3,2-b]indole-7-methanol, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-a,a-dimethyl-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-

Systematic Name

English

2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol

Systematic Name

English

BMS-986158

Code

English

EZOBRESIB [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C128462