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Compound Detail

CHEMBL368069

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CN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21

Basic Information

ChEMBL ID CHEMBL368069
Phase Preclinical
Structure Type MOL
InChI Key YBMWPCIPYFXGAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
4.34
ALogP
4
HBA
1
HBD
54.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O2S
MW 421.57
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.57

Activity Summary

Ki 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.13 7.13 74.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771424 10.1021/jm049615n 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine