pelabresib   Click here for help

GtoPdb Ligand ID: 9120

Synonyms: compound 10 [PMID: 26815195] | CPI-0610 | CPI0610
PDB Ligand
Compound class: Synthetic organic
Comment: Pelabresib (CPI-0610) is an investigational BET inhibitor with anti-tumour potential [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 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 81.48
Molecular weight 365.09
XLogP 3.85
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Isomeric SMILES NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
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
11382 pelabresib
Synonyms Click here for help
compound 10 [PMID: 26815195] | CPI-0610 | CPI0610
Database Links Click here for help
GtoPdb PubChem SID 315661205
PubChem CID 57389999
RCSB PDB Ligand 62G
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SynPHARM 83518 (in complex with bromodomain containing 4)