Basic Information
| VGSC-DB ID | NA0003 | |
|---|---|---|
| PubChem CID | 1775 | |
| IUPAC Name | 5,5-diphenylimidazolidine-2,4-dione | |
| Molecular Formula | C15H12N2O2 |
|
| Molecular Weight | 252.27g/mol | |
| IC50/EC50* (nM) | 22000 | |
| Target | Nav1.2 | |
| Binding Site | 8 | |
| Organism | Human | |
| UniProt Name | SCN2A_HUMAN | |
| UniProt ID | Q99250 | |
| SMILES | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1 | |
| Category | Small molecules | |
| InChI | InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) | |
| InChI Key | CXOFVDLJLONNDW-UHFFFAOYSA-N | |
| Article DOI | 10.1021/jm801432r | |
| PMID | 19388676 | |
| Authors | Parker, MH; Smith-Swintosky, VL; McComsey, DF; Huang, Y; Brenneman, D; Klein, B; Malatynska, E; White, HS; Milewski, ME; Herb, M; Finley, MF; Liu, Y; Lubin, ML; Qin, N; Iannucci, R; Leclercq, L; Cuyckens, F; Reitz, AB; Maryanoff, BE | |
| Institution | Johnson & Johnson Pharmaceutical Research & Development | |
Calculated Properties
| Heavy Atom Count | 19 | Computed by RDKit |
|---|---|---|
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 2 | Computed by RDKit |
| Hydrogen Bond Donor Count | 2 | Computed by RDKit |
| Rotatable Bond Count | 2 | Computed by RDKit |
| logP | 2.38 | Computed by ADMETlab2.0 |
| logS | -2.72 | Computed by ADMETlab2.0 |
| logD | 2.71 | Computed by ADMETlab2.0 |