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Compound Detail

CHEMBL2087629

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O=C(O)[C@H]1CSC(c2ccccc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2087629
Phase Preclinical
Structure Type MOL
InChI Key HOZQYTNELGLJMC-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
1.63
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.80
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 C10H9NO2S
MW 207.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase 1
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase II 1

Data from ChEMBL 36 via Core Engine