Basic Information
| VGSC-DB ID | NA0221 | |
|---|---|---|
| PubChem CID | 9974338 | |
| IUPAC Name | 3-[3-(dimethylamino)propyl]-5,5-diphenylimidazolidine-2,4-dione | |
| Molecular Formula | C20H23N3O2 |
|
| Molecular Weight | 337.4g/mol | |
| IC50/EC50* (nM) | 72000 | |
| Target | Nav1.2 | |
| Binding Site | unknown | |
| Organism | Rat | |
| UniProt Name | SCN2A_RAT | |
| UniProt ID | P04775 | |
| SMILES | CN(C)CCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | |
| Category | Small molecules | |
| InChI | InChI=1S/C20H23N3O2/c1-22(2)14-9-15-23-18(24)20(21-19(23)25,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,21,25) | |
| InChI Key | HJIPTYIITWBCLK-UHFFFAOYSA-N | |
| Article DOI | 10.1021/jm00028a010 | |
| PMID | 8295214 | |
| Authors | Roufos, I; Hays, SJ; Dooley, DJ; Schwarz, RD; Campbell, GW; Probert, AW | |
| Institution | Warner-Lambert Company | |
Calculated Properties
| Heavy Atom Count | 25 | Computed by RDKit |
|---|---|---|
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 3 | Computed by RDKit |
| Hydrogen Bond Donor Count | 1 | Computed by RDKit |
| Rotatable Bond Count | 6 | Computed by RDKit |
| logP | 2.8 | Computed by ADMETlab2.0 |
| logS | -2.82 | Computed by ADMETlab2.0 |
| logD | 2.12 | Computed by ADMETlab2.0 |