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Compound Detail

CHEMBL196692

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O=S(=O)(c1cccc(Cl)c1)n1cc(C2CCCNC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL196692
Phase Preclinical
Structure Type MOL
InChI Key FUQPHANCZOHROJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.9
MW (Da)
4.00
ALogP
4
HBA
1
HBD
51.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN2O2S
MW 374.89
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16125933 10.1016/j.bmcl.2005.07.028 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine