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Compound Detail

CHEMBL478686

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CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1

Basic Information

ChEMBL ID CHEMBL478686
Phase Preclinical
Structure Type MOL
InChI Key SNXKTAGJZJNICJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.1
MW (Da)
6.48
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN2O2S2
MW 487.09
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19159187 10.1021/jm8009469 5-hydroxytryptamine receptor 6 3

Data from ChEMBL 36 via Core Engine