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Compound Detail

CHEMBL353552

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COc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)c1

Basic Information

ChEMBL ID CHEMBL353552
Phase Preclinical
Structure Type MOL
InChI Key FMMHFIJNISTTOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.89
ALogP
7
HBA
0
HBD
70.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O5S
MW 458.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15050637 10.1016/j.bmcl.2004.01.071 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine