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Compound Detail

CHEMBL2087632

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O=C(O)[C@@H]1CSC(c2ccc(Br)cc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2087632
Phase Preclinical
Structure Type MOL
InChI Key RUCDATZMZMRLAS-QMMMGPOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.1
MW (Da)
2.40
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.91
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 C10H8BrNO2S
MW 286.15
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.19

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