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Compound Detail

CHEMBL91502

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CCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCOc2cccc(CC(=O)O)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91502
Phase Preclinical
Structure Type MOL
InChI Key OSATYCHNKHIBHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
7.15
ALogP
5
HBA
2
HBD
105.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H39NO6
MW 521.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL2304401
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 1600.0 nM 5.8 Inhibitory activity against cPLA2 (cytosolic Phospholipase A2) by measuring the ... 9276015

Literature References

PubMed DOI Target Context # Activities
9276015 10.1021/jm960863w Bos taurus 1
9276015 10.1021/jm960863w Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine