BIC1

Ligand id: 7510

Name: BIC1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 92.55
Molecular weight 340.08
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione
Database Links
ChEMBL Ligand CHEMBL1738777
PubChem CID 672548
RCSB PDB Ligand BYH
Search Google for chemical match using the InChIKey KDPSGIFCBZTBEZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KDPSGIFCBZTBEZ
Search UniChem for chemical match using the InChIKey KDPSGIFCBZTBEZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KDPSGIFCBZTBEZ
Comments
BIC1 (BRD2-interactive compound-1) inhibits the interaction between BRD2-BD1 and acetylated histone H4K12 without affecting the K12 acetylation level of histone H4 [1].