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

CHEMBL141432

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
CC(=O)N(C)CC/C=C1/c2ccc(Cl)cc2CCc2cccnc21

Basic Information

ChEMBL ID CHEMBL141432
Phase Preclinical
Structure Type MOL
InChI Key JHOJSIPGICNRRG-SWNXQHNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.9
MW (Da)
4.13
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O
MW 340.85
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.52

Activity Summary

Ki 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL4701
Ki 6.07 6.07 850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1671420 10.1021/jm00105a069 Platelet-activating factor receptor 1
1671420 10.1021/jm00105a069 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine