Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL608722

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Cn1ccnc1-c1ccccc1)c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL608722
Phase Preclinical
Structure Type MOL
InChI Key WIZZRWWXSSWLEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.84
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O3
MW 294.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A-2-activating protein
CHEMBL6114
IC50 4.76 4.76 17200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A-2-activating protein IC50 = 17200.0 nM 4.76 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