Bioactive Compound Details

BioIDbio4171
NameRACECADOTRIL
ChEMBL IDCHEMBL2103772
Molecular FormulaC21H23NO4S
Molecular Weight385.49
Molecular Weight (Monoisotopic)385.1348
TypeSmall molecule
Max PhasePhase 4
Target IDTar3
Target NameProlyl endopeptidase FAP (FAP)
SynonymsACETORPHAN|HIDRASEC|NSC-759828|RACECADOTRIL|RACECADOTRILO|TIORFAN|TIORFIX
SmilesCC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
InchiInChI=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)
Inchi KeyODUOJXZPIYUATO-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets116.0
Bioactivities212.0
Np Likeness Score-0.28
Records Key['SID174006909', 'racecadotril', 'RACECADOTRIL', 'RACECADOTRIL', 'Racecadotril', 'RACECADOTRIL', 'Racecadotril', 'Racecadotril', 'SAM001247060', 'RACECADOTRIL', 'RACECADOTRIL', 'COVC-0141074610', 'racecadotril', 'RACECADOTRIL', 'BA1000701']
Records Name['SID174006909', 'racecadotril', 'RACECADOTRIL', 'RACECADOTRIL', 'Racecadotril', 'RACECADOTRIL', 'Racecadotril', 'Racecadotril', 'C0164552', 'RACECADOTRIL', 'RACECADOTRIL', 'RACECADOTRIL', 'racecadotril', 'RACECADOTRIL', 'RACECADOTRIL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure