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

CHEMBL420892

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
CCOC(=O)c1ccc(OCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL420892
Phase Preclinical
Structure Type MOL
InChI Key ABPLWFSNNTVIKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
2.21
ALogP
4
HBA
1
HBD
64.2
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 C14H16N2O3
MW 260.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.59

Activity Summary

Ki 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8809168 10.1021/jm960138l Histamine H3 receptor 1
8809168 10.1021/jm960138l Mus musculus 1

Data from ChEMBL 36 via Core Engine