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

CHEMBL131597

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
N#CC(c1cccnc1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131597
Phase Preclinical
Structure Type MOL
InChI Key DXVZCXIQVCCOEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.76
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N5O
MW 411.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 360.0 nM 6.44 Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-An... 1433215

Literature References

PubMed DOI Target Context # Activities
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine