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Compound Detail

CHEMBL370215

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Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL370215
Phase Preclinical
Structure Type MOL
InChI Key PZAWPDKWBFRVNN-SFHVURJKSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.82
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O2S
MW 368.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 7.25
Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.3 8.3 5.0 1
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.25 7.25 56.3 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 3

Data from ChEMBL 36 via Core Engine