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Compound Detail

CHEMBL308010

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CC(=O)Nc1ccccc1/C=C1\SC(=S)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308010
Phase Preclinical
Structure Type MOL
InChI Key DAPNYTPCCKJKIQ-POHAHGRESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
2.13
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O2S2
MW 278.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine