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Compound Detail

CHEMBL114214

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CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CC(=O)O)n(C)c1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114214
Phase Preclinical
Structure Type MOL
InChI Key PGRHKJGPBXLAEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

509.8
MW (Da)
9.00
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H51NO3
MW 509.78
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL2304401
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 12000.0 nM 4.92 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