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

CHEMBL378788

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
CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1

Basic Information

ChEMBL ID CHEMBL378788
Phase Preclinical
Structure Type MOL
InChI Key GZJAOBFMCGWTIL-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
4.42
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17Cl2N3O
MW 362.26
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 6.99
Ki 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
EC50 6.99 6.99 102.3 1
Histamine H4 receptor
CHEMBL3759
Ki 6.51 6.51 309.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16854056 10.1021/jm051008s Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine