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Compound Detail

CHEMBL425767

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CN1CCN(CCCC2(S(=O)(=O)c3ccccc3)CCC2)CC1

Basic Information

ChEMBL ID CHEMBL425767
Phase Preclinical
Structure Type MOL
InChI Key ZDYKFVPSFFUZJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
2.41
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.80
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 C18H28N2O2S
MW 336.50
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.76

Activity Summary

Ki 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16337790 10.1016/j.bmcl.2005.11.067 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine