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

CHEMBL101957

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#CC(c1cccnc1C)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101957
Phase Preclinical
Structure Type MOL
InChI Key AFOGUCKEGAZFKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
3.59
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.57
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 C28H30N4O
MW 438.57
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.07 6.07 860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 860.0 nM 6.07 Inhibition of PAF-induced platelet aggregation 8411016

Literature References

PubMed DOI Target Context # Activities
8411016 10.1021/jm00072a019 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine