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

CHEMBL221211

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(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221211
Phase Preclinical
Structure Type MOL
InChI Key HOGIQAJOASEATP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.0
MW (Da)
5.20
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33ClN4O
MW 441.02
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.53

Activity Summary

Ki 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
 Ki 7.19 7.19 65.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 65.0 nM 7.19 Displacement of [3H]histamine from human recombinant histamine H4 receptor expre... 16990005
Histamine H4 receptor Ki = 65.0 nM 7.19 Displacement of [3H]histamine from human recombinant histamine H4 receptor 20452213

Literature References

PubMed DOI Target Context # Activities
16990005 10.1016/j.bmcl.2006.08.117 Histamine H4 receptor 1
20452213 10.1016/j.bmcl.2010.04.017 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine