birabresib

Ligand id: 8359

Name: birabresib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 120.64
Molecular weight 491.12
XLogP 5.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC 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 dehydrate
International Nonproprietary Names
INN number INN
10407 birabresib
Synonyms
MK-8628 | OTX-015 | OTX015
Database Links
CAS Registry No. 202590-98-5 (source: WHO INN record)
GtoPdb PubChem SID 252166571
PubChem CID 9936746
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Comments
OTX015 inhibits interaction between bromodomain and extra-terminal (BET) family of bromodomain-containing proteins (BRDs) BET domains and acetylated histone 4 (AcH4). It is an orally available novel BRD2/3/4 inhibitor with potent preclinical anti-tumour activity [1,4,6,10,12-13]. OTX015 is an analogue of (+)-JQ1.