| BioID | bio200398 |
|---|
| Name | DANTROLENE |
|---|
| ChEMBL ID | CHEMBL1201288 |
|---|
| Molecular Formula | C14H10N4O5 |
|---|
| Molecular Weight | 314.26 |
|---|
| Molecular Weight (Monoisotopic) | 314.0651 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-METHYLBENZOIC ACID ANILIDE|BAS-305|BAS-3050|BAS-3050F|BEBENIL|DANTROLENE|DANTROLENO|F-368|MEBENIL|NSC-227402|NSC-26404|O-METHYLBENZANILIDE|O-TOLUANILIDE|SHA-458100 |
|---|
| Smiles | O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1 |
|---|
| Inchi | InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+ |
|---|
| Inchi Key | OZOMQRBLCMDCEG-VIZOYTHASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 96.0 |
|---|
| Bioactivities | 1676.0 |
|---|
| Np Likeness Score | -1.25 |
|---|
| Records Key | ['Dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene', 'SID26756773', 'DANTROLENE', 'Dantrolene', 'dantrolene', 'DANTROLENE', '55', 'dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene 0.4 micromolar', 'dantrolene 2 micromolar', 'dantrolene 10 micromolar', 'DANTROLENE', 'Sarpogrelate hydrochloride', 'COVC-3897561587', 'DANTROLENE', '4', 'Dantrolene', 'SID90341114', 'Dantrolene', 'SID26756482', 'Dantrolene', 'dantrolene', 'AZ131', 'dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene', 'Dant', 'BA1000620'] |
|---|
| Records Name | ['Dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene', 'SID26756773', 'DANTROLENE', 'Dantrolene', 'dantrolene', 'DANTROLENE', 'Dantrolene', 'dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene', 'dantrolene', 'dantrolene', 'DANTROLENE', 'Dantrolene', 'DANTROLENE', 'DANTROLENE', '1-((5-(4-nitrophenyl)furan-2-yl)methyleneamino)imidazolidine-2,4-dione', 'Dantrolene', 'SID90341114', 'Dantrolene', 'SID26756482', 'Dantrolene', 'dantrolene', '(E)-1-((5-(4-nitrophenyl)furan-2-yl)methyleneamino)imidazolidine-2,4-dione', 'dantrolene', 'Dantrolene', 'Dantrolene', 'dantrolene', 'Dantrolene', None] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
