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

CHEMBL608536

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
CCN(CC)[C@@H]1CCc2cccc(OC)c2C1

Basic Information

ChEMBL ID CHEMBL608536
Phase Preclinical
Structure Type MOL
InChI Key FZRSAZJCXVFEPJ-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.89
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23NO
MW 233.35
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.54

Activity Summary

Ki 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 7.06 7.06 87.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 87.1 nM 7.06 Binding affinity at rat 5-hydroxytryptamine 7 receptor. 14640545

Literature References

PubMed DOI Target Context # Activities
14640545 10.1021/jm030826m 5-hydroxytryptamine receptor 7 2

Data from ChEMBL 36 via Core Engine