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Compound Detail

CHEMBL602242

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Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C

Basic Information

ChEMBL ID CHEMBL602242
Phase Preclinical
Structure Type MOL
InChI Key FYCXFOMMDOYMPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.95
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3
MW 296.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A-2-activating protein
CHEMBL6114
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A-2-activating protein IC50 = 5800.0 nM 5.24 Inhibition of PLAP by analogous luminescence assay 20031422

Literature References

PubMed DOI Target Context # Activities
20031422 10.1016/j.bmc.2009.12.012 Phospholipase A-2-activating protein 1
20031422 10.1016/j.bmc.2009.12.012 Alkaline phosphatase, tissue-nonspecific isozyme 1
20031422 10.1016/j.bmc.2009.12.012 Unchecked 1

Data from ChEMBL 36 via Core Engine