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

CHEMBL3216628

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.O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Nc2cccnc2)CC1

Basic Information

ChEMBL ID CHEMBL3216628
Phase Preclinical
Structure Type MOL
InChI Key HCLONZWXFMAKMK-UHFFFAOYSA-N
Parent Compound CHEMBL1194036
Active Moiety CHEMBL1194036
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.71
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29Cl2N3O
MW 458.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.06 7.06 87.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine