Ligand id: 8721

Name: CCG-4986

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 126.46
Molecular weight 373.98
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kimple AJ, Willard FS, Giguère PM, Johnston CA, Mocanu V, Siderovski DP. (2007)
The RGS protein inhibitor CCG-4986 is a covalent modifier of the RGS4 Galpha-interaction face.
Biochim. Biophys. Acta, 1774 (9): 1213-20. [PMID:17660054]
2. Roman DL, Blazer LL, Monroy CA, Neubig RR. (2010)
Allosteric inhibition of the regulator of G protein signaling-Galpha protein-protein interaction by CCG-4986.
Mol. Pharmacol., 78 (3): 360-5. [PMID:20530129]
3. Roman DL, Talbot JN, Roof RA, Sunahara RK, Traynor JR, Neubig RR. (2007)
Identification of small-molecule inhibitors of RGS4 using a high-throughput flow cytometry protein interaction assay.
Mol. Pharmacol., 71 (1): 169-75. [PMID:17012620]