Bioactive Compound Details
| BioID | bio14803 |
|---|---|
| Name | ESAFOXOLANER |
| ChEMBL ID | CHEMBL4298144 |
| Molecular Formula | C26H17ClF9N3O3 |
| Molecular Weight | 625.88 |
| Molecular Weight (Monoisotopic) | 625.0815 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar16 |
| Target Name | GABA transporter-3 (SLC6A11) |
| Synonyms | AFOXOLANER, (S)-|ESAFOXOLANER |
| Smiles | O=C(CNC(=O)c1ccc(C2=NO[C@@](c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)NCC(F)(F)F |
| Inchi | InChI=1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40)/t23-/m0/s1 |
| Inchi Key | OXDDDHGGRFRLEE-QHCPKHFHSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.04 |
| Records Key | ['ESAFOXOLANER'] |
| Records Name | ['ESAFOXOLANER'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
