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Compound Detail

CHEMBL5197295

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C=Cc1nc(C(=O)OCC)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197295
Phase Preclinical
Structure Type MOL
InChI Key AGXYOMCWUABRCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.96
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9NO2S
MW 183.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
35984756 10.1021/acs.jmedchem.2c00909 HCT-116 1
35984756 10.1021/acs.jmedchem.2c00909 NCI-H522 1

Data from ChEMBL 36 via Core Engine