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Compound Detail

CHEMBL3326960

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O=C(O)/C=C/c1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326960
Phase Preclinical
Structure Type MOL
InChI Key RSIQENTVKXZIBD-DTQAZKPQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
5.51
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO2
MW 367.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL3816
 IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosolic phospholipase A2 IC50 = 320.0 nM 6.5 Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as sup... 25102418

Literature References

PubMed DOI Target Context # Activities
25102418 10.1021/jm500494y Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine