CCG-63802

Ligand id: 8724

Name: CCG-63802

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 94.46
Molecular weight 450.12
XLogP 6.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Database Links
CAS Registry No. 620112-78-9 (source: PubChem)
ChEMBL Ligand CHEMBL1476646
GtoPdb PubChem SID 252827382
PubChem CID 6057678
Search Google for chemical match using the InChIKey VFSVKVQMZDJFQX-NBVRZTHBSA-N
Search Google for chemicals with the same backbone VFSVKVQMZDJFQX
Search UniChem for chemical match using the InChIKey VFSVKVQMZDJFQX-NBVRZTHBSA-N
Search UniChem for chemicals with the same backbone VFSVKVQMZDJFQX
Comments
CCG-63802 is a small molecule, allosteric inhibitor of the regulator of G-protein signaling 4 (RGS4) protein [1].