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Compound Detail

CHEMBL90083

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CCCCCCCCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCCCCCCC(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90083
Phase Preclinical
Structure Type MOL
InChI Key LVQPWIBNLQKFSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.8
MW (Da)
10.21
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H55NO5
MW 569.83
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL2304401
 IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 1400.0 nM 5.85 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