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

CHEMBL76778

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
C1=C(c2ccc3c(c2)OCO3)N2CCN=C2c2ccccc21

Basic Information

ChEMBL ID CHEMBL76778
Phase Preclinical
Structure Type MOL
InChI Key XRENMKVJOCRUCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.99
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O2
MW 290.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.01

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7830265 10.1021/jm00002a004 Abelson 8.1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine