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Compound Detail

CHEMBL149271

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Cc1c(C(=O)C(N)=O)c2c(/C=C/C(=O)O)cccc2n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149271
Phase Preclinical
Structure Type MOL
InChI Key SJWCGAHRKDSEKC-ZHACJKMWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.76
ALogP
4
HBA
2
HBD
102.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O4
MW 362.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
 IC50 4.34 4.34 46000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A2, membrane associated IC50 = 46000.0 nM 4.34 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 Phospholipase A2 1
8978844 10.1021/jm960487f Unchecked 1

Data from ChEMBL 36 via Core Engine