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Compound Detail

CHEMBL2087637

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

Basic Information

ChEMBL ID CHEMBL2087637
Phase Preclinical
Structure Type MOL
InChI Key XBUQMELIRBNKJO-LURJTMIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
1.11
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O4S
MW 260.31
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.24

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