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

CHEMBL307146

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(Cc1ccc(Cl)cc1)NCCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL307146
Phase Preclinical
Structure Type MOL
InChI Key GYQIXVPRMPWWRJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.8
MW (Da)
2.48
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.81
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 C15H21ClN2O
MW 280.80
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.65

Activity Summary

Ki 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Ki 5.77 5.77 1698.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 1698.24 nM 5.77 In vitro binding affinity for histamine H3 receptor was determined in guinea-pig... 10882362

Literature References

PubMed DOI Target Context # Activities
10882362 10.1021/jm990952j Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine