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Compound Detail

CHEMBL367730

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CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc23)CC1

Basic Information

ChEMBL ID CHEMBL367730
Phase Preclinical
Structure Type MOL
InChI Key IXFIZZJAUYTVFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.0
MW (Da)
4.49
ALogP
4
HBA
2
HBD
65.2
PSA (Ų)
0.67
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 C18H20ClN3O2S2
MW 409.96
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.82

Activity Summary

Ki 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.61 7.61 24.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771424 10.1021/jm049615n 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine