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Compound Detail

CHEMBL4851193

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COc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851193
Phase Preclinical
Structure Type MOL
InChI Key IWKMQOAMKXXCAZ-WDZFZDKYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
1.82
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO6S
MW 323.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.16

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