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Compound Detail

CHEMBL4875881

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Nc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875881
Phase Preclinical
Structure Type MOL
InChI Key QOWIPFGPOUFAGU-UITAMQMPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
1.39
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O4S
MW 278.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34826680 10.1016/j.bmc.2021.116518 Unchecked 1

Data from ChEMBL 36 via Core Engine