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Compound Detail

CHEMBL175906

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Cc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C

Basic Information

ChEMBL ID CHEMBL175906
Phase Preclinical
Structure Type MOL
InChI Key HXOLMWLXGSECNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.0
MW (Da)
3.67
ALogP
7
HBA
1
HBD
71.6
PSA (Ų)
0.50
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 C18H20ClN5O2S2
MW 437.98
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.35

Activity Summary

Ki 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.13 7.13 74.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771424 10.1021/jm049615n 5-hydroxytryptamine receptor 6 2

Data from ChEMBL 36 via Core Engine