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

CHEMBL253826

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
CN(C)[C@@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL253826
Phase Preclinical
Structure Type MOL
InChI Key BOLNLVRWYZUGLA-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.91
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.94
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 C18H22N2O2S
MW 330.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.11

Activity Summary

Ki 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.31 7.31 49.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18201064 10.1021/jm070910s 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine