Bioactive Compound Details
| BioID | bio2343 |
|---|---|
| Name | GIMINABANT |
| ChEMBL ID | CHEMBL2105761 |
| Molecular Formula | C26H22Cl2N4 |
| Molecular Weight | 461.4 |
| Molecular Weight (Monoisotopic) | 460.1222 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | GIMINABANT |
| Smiles | C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccc(C#N)cc2Cl)[C@H](c2ccc(Cl)cc2)C1 |
| Inchi | InChI=1S/C26H22Cl2N4/c1-18(21-5-2-19(15-29)3-6-21)31-12-13-32(25-11-4-20(16-30)14-24(25)28)26(17-31)22-7-9-23(27)10-8-22/h2-11,14,18,26H,12-13,17H2,1H3/t18-,26+/m1/s1 |
| Inchi Key | GTOMRUVXHAYDFH-DWXRJYCRSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.27 |
| Records Key | ['GIMINABANT'] |
| Records Name | ['GIMINABANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
