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Compound Detail

CHEMBL425328

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COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3cccnc23)CCCC1CN(C)C

Basic Information

ChEMBL ID CHEMBL425328
Phase Preclinical
Structure Type MOL
InChI Key WQEOAXFKZAGEGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.42
ALogP
6
HBA
0
HBD
64.4
PSA (Ų)
0.45
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 C25H27N3O3S
MW 449.58
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.12 8.12 7.6 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