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Compound Detail

CHEMBL1172387

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CC(C)OP(=O)(OC(C)C)c1ccccc1S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172387
Phase Preclinical
Structure Type MOL
InChI Key UAYRIRPCYIQVIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.64
ALogP
4
HBA
1
HBD
35.5
PSA (Ų)
0.66
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 C12H19O3PS
MW 274.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
20527888 10.1021/jm100213c Unchecked 2
20527888 10.1021/jm100213c Beta-lactamase L1 2
20527888 10.1021/jm100213c Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine