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Compound Detail

CHEMBL2086406

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O=C(Cc1ccccc1)NCC1=N[C@H](C(=O)O)CS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2086406
Phase Preclinical
Structure Type MOL
InChI Key DWGVKJUUAYFGSB-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
0.94
ALogP
4
HBA
2
HBD
78.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O3S
MW 278.33
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.49

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