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Compound Detail

CHEMBL149146

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COc1ccc2c(c1)c(CC(N)=O)c(C)n2CC1CCCCC1

Basic Information

ChEMBL ID CHEMBL149146
Phase Preclinical
Structure Type MOL
InChI Key MAXXUQCYAFWMML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.57
ALogP
3
HBA
1
HBD
57.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O2
MW 314.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
IC50 5.69 5.69 2050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9005255 10.1021/jm960485v Phospholipase A2, membrane associated 3
9005255 10.1021/jm960485v Cavia porcellus 1

Data from ChEMBL 36 via Core Engine