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Compound Detail

CHEMBL197407

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COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL197407
Phase Preclinical
Structure Type MOL
InChI Key IXXUMGONMOKOCS-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.52
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O3S
MW 384.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.71 7.71 19.3 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