CCG-63808

Ligand id: 8725

Name: CCG-63808

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 454.09
XLogP 5.92
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-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Database Links
CAS Registry No. 620113-73-7 (source: PubChem)
ChEMBL Ligand CHEMBL1604848
GtoPdb PubChem SID 252827383
PubChem CID 5948316
Search Google for chemical match using the InChIKey IPZHFKHGSYRBNT-DTQAZKPQSA-N
Search Google for chemicals with the same backbone IPZHFKHGSYRBNT
Search UniChem for chemical match using the InChIKey IPZHFKHGSYRBNT-DTQAZKPQSA-N
Search UniChem for chemicals with the same backbone IPZHFKHGSYRBNT
Comments
CCG-63808 is an allosteric, small molecule inhibitor of the regulator of G-protein signaling 4 (RGS4) protein [1].