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Compound Detail

CHEMBL4075324

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CCOP(=O)(OCC)C(CO)CCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075324
Phase Preclinical
Structure Type MOL
InChI Key STMXZOFMXPPVCH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.03
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27O4P
MW 314.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28445786 10.1016/j.ejmech.2017.04.035 Unchecked 2
28445786 10.1016/j.ejmech.2017.04.035 GIM-1 protein 2
28445786 10.1016/j.ejmech.2017.04.035 Beta-lactamase VIM-2 2

Data from ChEMBL 36 via Core Engine