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Compound Detail

CHEMBL287917

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COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287917
Phase Preclinical
Structure Type MOL
InChI Key VUUOFUXMLYHSMN-TYNCELHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
-0.37
ALogP
7
HBA
2
HBD
139.3
PSA (Ų)
0.62
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 C17H20N2O8S
MW 412.42
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
6273562 10.1021/jm00144a034 Beta lactamase TEM-1 1
6273562 10.1021/jm00144a034 Beta-lactamase 1

Data from ChEMBL 36 via Core Engine