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Compound Detail

CHEMBL93788

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CCCCCCCCCCCC(=O)c1c(C(=O)O)n(C)c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93788
Phase Preclinical
Structure Type MOL
InChI Key GUIUXUZXFFAVFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.89
ALogP
5
HBA
1
HBD
102.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O5
MW 402.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL2304401
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 10000.0 nM 5.0 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