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

CHEMBL3215980

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
Cl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)CCc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL3215980
Phase Preclinical
Structure Type MOL
InChI Key HYOXMHJAKNPIFB-UHFFFAOYSA-N
Parent Compound CHEMBL1192430
Active Moiety CHEMBL1192430
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.42
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.84
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 C20H24Cl2N4O
MW 407.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine