| BioID | bio4177 |
|---|
| Name | ECADOTRIL |
|---|
| ChEMBL ID | CHEMBL1516410 |
|---|
| Molecular Formula | C21H23NO4S |
|---|
| Molecular Weight | 385.49 |
|---|
| Molecular Weight (Monoisotopic) | 385.1348 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar3 |
|---|
| Target Name | Prolyl endopeptidase FAP (FAP) |
|---|
| Synonyms | BAY Y 7432|BAY-Y-7432|BP 1.02|BP-1.02|ECADOTRIL|ECADOTRILO|RACECADOTRIL (S)-FORM|S-049|S.049|SINORPHAN |
|---|
| Smiles | CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 |
|---|
| Inchi | InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m1/s1 |
|---|
| Inchi Key | ODUOJXZPIYUATO-LJQANCHMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 22.0 |
|---|
| Np Likeness Score | -0.28 |
|---|
| Records Key | ['SID11112861', 'SID170466653', 'SID144204251', 'ECADOTRIL', 'RACECADOTRIL', 'RACECADOTRIL', 'RACECADOTRIL'] |
|---|
| Records Name | ['SID11112861', 'SID170466653', 'SID144204251', 'ECADOTRIL', 'RACECADOTRIL', 'RACECADOTRIL', 'RACECADOTRIL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
