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

CHEMBL97170

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
O=C(CCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97170
Phase Preclinical
Structure Type MOL
InChI Key VPARRMQGLNFBBR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.9
MW (Da)
3.39
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.77
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 C19H25ClN2O2
MW 348.87
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

Ki 3 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 Ki 8.92 8.92 1.2 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 1.2 nM 8.92 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... 19577344
Histamine H3 receptor Ki = 1.2 nM 8.92 Binding affinity to human histamine H3 receptor 21062081
Histamine H3 receptor Ki = 1.2 nM 8.92 Binding affinity to human H3R 33261900

Literature References

PubMed DOI Target Context # Activities
19577344 10.1016/j.ejmech.2009.06.007 Histamine H3 receptor 2
21062081 10.1021/jm100064d Histamine H3 receptor 1
33261900 10.1016/j.ejmech.2020.113041 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine