Basic Information
| VGSC-DB ID | NA0006 | |
|---|---|---|
| PubChem CID | 1775 | |
| IUPAC Name | 5,5-diphenylimidazolidine-2,4-dione | |
| Molecular Formula | C15H12N2O2 |
|
| Molecular Weight | 252.27g/mol | |
| IC50/EC50* (nM) | >100000 | |
| Target | Nav1.7 | |
| Binding Site | 8 | |
| Organism | Human | |
| UniProt Name | SCN9A_HUMAN | |
| UniProt ID | Q15858 | |
| 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 | 10.1016/j.bmc.2011.08.061 | |
| PMID | 22364743 | |
| Authors | Davis, GC; Kong, Y; Paige, M; Li, Z; Merrick, EC; Hansen, T; Suy, S; Wang, K; Dakshanamurthy, S; Cordova, A; McManus, OB; Williams, BS; Chruszcz, M; Minor, W; Patel, MK; Brown, ML | |
| Institution | University of Virginia | |
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 |