Bioactive Compound Details
| BioID | bio200487 |
|---|---|
| Name | AVORALSTAT |
| ChEMBL ID | CHEMBL4297502 |
| Molecular Formula | C28H27N5O5 |
| Molecular Weight | 513.55 |
| Molecular Weight (Monoisotopic) | 513.2012 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | AVORALSTAT|BCX-4161 |
| Smiles | C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC |
| Inchi | InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37) |
| Inchi Key | TUWMKPVJGGWGNL-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.37 |
| Records Key | ['AVORALSTAT', 'BCX4161'] |
| Records Name | ['AVORALSTAT', 'Avoralstat'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
