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Compound Detail

CHEMBL307557

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CCN1C(=O)/C(=C/c2ccccc2)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307557
Phase Preclinical
Structure Type MOL
InChI Key ZQDPYAPUFMILTB-NTMALXAHSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.4
MW (Da)
2.91
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.59
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 C12H11NOS2
MW 249.36
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.98

Activity Summary

IC50 2 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
20185317 10.1016/j.bmc.2010.02.001 LL-diaminopimelate aminotransferase, chloroplastic 1

Data from ChEMBL 36 via Core Engine