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Compound Detail

CHEMBL356606

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CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356606
Phase Preclinical
Structure Type MOL
InChI Key IMGOQYQYSLHFKI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
4.05
ALogP
5
HBA
2
HBD
111.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N2O5
MW 456.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.57

Activity Summary

IC50 2 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
 IC50 8.22 8.22 6.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A2, membrane associated IC50 = 6.0 nM 8.22 Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic... 8978844
Phospholipase A2, membrane associated IC50 = 6.0 nM 8.22 Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assa... 8978844

Literature References

PubMed DOI Target Context # Activities
8978844 10.1021/jm960487f Phospholipase A2, membrane associated 2
8978844 10.1021/jm960487f Cavia porcellus 2
8978844 10.1021/jm960487f Unchecked 2

Data from ChEMBL 36 via Core Engine