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Compound Detail

CHEMBL324766

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CC(=O)Nc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL324766
Phase Preclinical
Structure Type MOL
InChI Key DRUUKEYPRCPVJA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
2.94
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O3S
MW 385.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.29

Activity Summary

Ki 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 27.0 nM 7.57 Binding affinity towards human 5-hydroxytryptamine 6 receptor 12951125

Literature References

PubMed DOI Target Context # Activities
12951125 10.1016/s0960-894x(03)00612-7 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine