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Compound Detail

CHEMBL482939

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Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1

Basic Information

ChEMBL ID CHEMBL482939
Phase Preclinical
Structure Type MOL
InChI Key FHSWWFYSXOSTCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.87
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 C18H21NO3S
MW 331.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.45

Activity Summary

Ki 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.71 7.71 19.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 19.6 nM 7.71 Displacement of [3H]LSD from human recombinant 5HT6 receptor 19346128

Literature References

PubMed DOI Target Context # Activities
19346128 10.1016/j.bmcl.2009.03.077 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine