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Compound Detail

CHEMBL2159308

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CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1

Basic Information

ChEMBL ID CHEMBL2159308
Phase Preclinical
Structure Type MOL
InChI Key QUVFEIAGJQJKEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.1
MW (Da)
3.95
ALogP
6
HBA
1
HBD
58.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23ClN2O3S3
MW 447.05
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.20

Activity Summary

Ki 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22926225 10.1016/j.ejmech.2012.07.043 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine