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

CHEMBL80647

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
C=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1

Basic Information

ChEMBL ID CHEMBL80647
Phase Preclinical
Structure Type MOL
InChI Key WANZUOVFWFGQCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.43
ALogP
3
HBA
0
HBD
18.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3
MW 355.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 5.04 5.04 9200.0 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