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Compound Detail

CHEMBL206563

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O=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)C2)CCC1

Basic Information

ChEMBL ID CHEMBL206563
Phase Preclinical
Structure Type MOL
InChI Key PJRGVOUAMJUVDM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.6
MW (Da)
4.65
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.70
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 C23H29NO2S
MW 383.56
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 8.05 8.05 9.0 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