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

CHEMBL372569

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
O=S(=O)(c1cccs1)n1cc(C2CCCNC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL372569
Phase Preclinical
Structure Type MOL
InChI Key XYVUZYKIADHQGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.41
ALogP
5
HBA
1
HBD
51.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2S2
MW 346.48
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.21

Activity Summary

Ki 1 meas. best 8.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.01 8.01 9.8 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 1

Data from ChEMBL 36 via Core Engine