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Compound Detail

CHEMBL4866997

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COc1ccc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866997
Phase Preclinical
Structure Type MOL
InChI Key VPSSWSIEPRFNFS-FLIBITNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
2.21
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.84
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 C14H13NO5S
MW 307.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.29

Literature References

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

Data from ChEMBL 36 via Core Engine