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Compound Detail

CHEMBL345319

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CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345319
Phase Preclinical
Structure Type MOL
InChI Key FWSAAZSYICZMKA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.91
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO3S
MW 285.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.62

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10098663 10.1016/s0960-894x(99)00034-7 Dipeptidyl peptidase 4 2
10098663 10.1016/s0960-894x(99)00034-7 Aminopeptidase N 2
10098663 10.1016/s0960-894x(99)00034-7 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine