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Compound Detail

CHEMBL1086326

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NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21

Basic Information

ChEMBL ID CHEMBL1086326
Phase Preclinical
Structure Type MOL
InChI Key RJCGVXCLLBQVMP-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.04
ALogP
3
HBA
1
HBD
60.2
PSA (Ų)
0.95
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 C17H18FNO2S
MW 319.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.08

Activity Summary

Ki 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 10.1 10.1 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 0.07943 nM 10.1 Displacement of [3H]LSD form human recombinant 5HT6 receptor 20434910

Literature References

PubMed DOI Target Context # Activities
20434910 10.1016/j.bmcl.2010.03.110 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine