mivebresib

Ligand id: 9117

Name: mivebresib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 99.88
Molecular weight 459.11
XLogP 3.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide
International Nonproprietary Names
INN number INN
10341 mivebresib
Synonyms
ABBV-075 | ABBV075 | Example 36 [WO2013097601]
Database Links
CAS Registry No. 1445993-26-9 (source: WHO INN record)
PubChem CID 71600087
RCSB PDB Ligand 8NG
Search Google for chemical match using the InChIKey RDONXGFGWSSFMY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RDONXGFGWSSFMY
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Search UniChem for chemical match using the InChIKey RDONXGFGWSSFMY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RDONXGFGWSSFMY
Comments
Mivebresib (ABBV-075) is a potent orally available BET inhibitor. BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours.