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Compound Detail

CHEMBL356133

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CCc1[nH]c2cccc(CC(=O)O)c2c1C(=O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356133
Phase Preclinical
Structure Type MOL
InChI Key BNHJTBKVGCIZBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
1.03
ALogP
3
HBA
3
HBD
113.2
PSA (Ų)
0.56
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 C14H14N2O4
MW 274.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A2, membrane associated IC50 = 1600.0 nM 5.8 Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic... 8978844

Literature References

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

Data from ChEMBL 36 via Core Engine