Bioactive Compound Details
| BioID | bio3293 |
|---|---|
| Name | ORVEPITANT MALEATE |
| ChEMBL ID | CHEMBL2105668 |
| Molecular Formula | C35H39F7N4O6 |
| Molecular Weight | 744.71 |
| Molecular Weight (Monoisotopic) | 628.2648 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | GW-823296B|GW823296B|ORVEPITANT MALEATE |
| Smiles | Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C31H35F7N4O2.C4H4O4/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24+,25+,27-;/m1./s1 |
| Inchi Key | IPACOHTZCSBGBV-WUXDIRCFSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.83 |
| Records Key | ['ORVEPITANT MALEATE', 'ORVEPITANT MALEATE'] |
| Records Name | ['ORVEPITANT MALEATE', 'ORVEPITANT MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
