compound 2c [PMID: 22115617]

Ligand id: 8140

Name: compound 2c [PMID: 22115617]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 58.36
Molecular weight 530.74
XLogP 3.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid
Database Links
ChEMBL Ligand CHEMBL1233807
PubChem CID 46943415
RCSB PDB Ligand K66
Search Google for chemical match using the InChIKey PHAOTASRLQMKBE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PHAOTASRLQMKBE
Search UniChem for chemical match using the InChIKey PHAOTASRLQMKBE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PHAOTASRLQMKBE
Comments
Compound 2c is a potent inhibitor of the alpha prime (α'; gene symbol CSNK2A2) subunit of casein kinase 2 (CK2) [1]. The compound is four times more potent at CK2α' compared to CK2α as assessed by subunit-induced inhibition of phosphorylation of a synthetic peptide substrate [1].