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Compound Detail

CHEMBL115248

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CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)O)n(CC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115248
Phase Preclinical
Structure Type MOL
InChI Key QAKNCVKZBHISTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.7
MW (Da)
8.59
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H51NO3
MW 461.73
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 0.01

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 Inhibition of cPLA2 measuring Calcium ionophore A-23,187-induced arachidonic aci... 9341913

Literature References

PubMed DOI Target Context # Activities
9341913 10.1021/jm970045j Unchecked 1
9341913 10.1021/jm970045j Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine