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Compound Detail

CHEMBL4858562

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O=C(O)CN1C(=O)S/C(=C\c2ccc(O)cc2O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858562
Phase Preclinical
Structure Type MOL
InChI Key PKYRXJLEYSLXBA-OQFOIZHKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
1.22
ALogP
6
HBA
3
HBD
115.1
PSA (Ų)
0.72
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 C12H9NO6S
MW 295.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.91

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