| BioID | bio4173 |
|---|
| Name | FASIDOTRIL |
|---|
| ChEMBL ID | CHEMBL325695 |
|---|
| Molecular Formula | C23H25NO6S |
|---|
| Molecular Weight | 443.52 |
|---|
| Molecular Weight (Monoisotopic) | 443.1403 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar3 |
|---|
| Target Name | Prolyl endopeptidase FAP (FAP) |
|---|
| Synonyms | ALADOTRIL|ALATRIOPRIL|BP-1137|FASIDOTRIL|FASIDOTRILO |
|---|
| Smiles | CC(=O)SC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |
|---|
| Inchi | InChI=1S/C23H25NO6S/c1-15(23(27)28-12-17-6-4-3-5-7-17)24-22(26)19(13-31-16(2)25)10-18-8-9-20-21(11-18)30-14-29-20/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,24,26)/t15-,19+/m0/s1 |
|---|
| Inchi Key | KKBIUAUSZKGNOA-HNAYVOBHSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.04 |
|---|
| Records Key | ['124 (Fasidotril)', 'FASIDOTRIL'] |
|---|
| Records Name | ['2-(3-Acetylsulfanyl-2-benzo[1,3]dioxol-5-ylmethyl-propionylamino)-propionic acid benzyl ester (Fasidotril)', 'FASIDOTRIL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
