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Compound Detail

CHEMBL223637

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COc1ccc2c(CCN(C)C)cn(S(=O)(=O)c3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL223637
Phase Preclinical
Structure Type MOL
InChI Key SYILXMORBUBUPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
2.99
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.68
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 C19H22N2O3S
MW 358.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16945532 10.1016/j.bmcl.2006.08.068 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine