mivebresib   Click here for help

GtoPdb Ligand ID: 9117

Synonyms: ABBV-075 | ABBV075 | Example 36 [WO2013097601]
PDB Ligand
Compound class: Synthetic organic
Comment: Mivebresib (ABBV-075) is a potent orally available BET inhibitor [1]. 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 101.57
Molecular weight 459.11
XLogP 5.44
No. Lipinski's rules broken 1
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Canonical SMILES CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F
Isomeric SMILES CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F
InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10341 mivebresib
Synonyms Click here for help
ABBV-075 | ABBV075 | Example 36 [WO2013097601]
Database Links Click here for help
CAS Registry No. 1445993-26-9 (source: WHO INN record)
GtoPdb PubChem SID 315661202
PubChem CID 71600087
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UniChem Compound Search for chemical match using the InChIKey RDONXGFGWSSFMY-UHFFFAOYSA-N
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