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

CHEMBL383373

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
CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL383373
Phase Preclinical
Structure Type MOL
InChI Key QJJTZXGUGNJLGS-KRWDZBQOSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
3.10
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.72
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 C20H23N3O2S
MW 369.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 7.61
Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.52 8.52 3.0 1
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.61 7.61 24.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16125933 10.1016/j.bmcl.2005.07.028 5-hydroxytryptamine receptor 6 3

Data from ChEMBL 36 via Core Engine