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Compound Detail

CHEMBL330711

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CCCCCCCCCCCC(=O)c1c(C)c(C)n(C)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330711
Phase Preclinical
Structure Type MOL
InChI Key ZLNOQZFHSWWKPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
5.44
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33NO3
MW 335.49
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.02

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL2304401
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 11000.0 nM 4.96 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