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

CHEMBL281273

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
CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c1-3

Basic Information

ChEMBL ID CHEMBL281273
Phase Preclinical
Structure Type MOL
InChI Key WJRKPLARAFQQGZ-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.52
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO2
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.03

Activity Summary

Ki 2 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 7.44 7.44 36.2 1
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 6.86 6.86 139.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11311055 10.1021/jm0108505 5-hydroxytryptamine receptor 7 2
11311055 10.1021/jm0108505 5-hydroxytryptamine receptor 1A 1
11311055 10.1021/jm0108505 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine