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Compound Detail

CHEMBL148665

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NC(=O)C(=O)c1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12

Basic Information

ChEMBL ID CHEMBL148665
Phase Preclinical
Structure Type MOL
InChI Key CJRUYCNQIQGMTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.82
ALogP
5
HBA
2
HBD
111.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O5
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
IC50 7.02 7.02 96.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8978844 10.1021/jm960487f Phospholipase A2, membrane associated 1
8978844 10.1021/jm960487f Unchecked 1

Data from ChEMBL 36 via Core Engine