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Compound Detail

CHEMBL380114

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CN(C)CCCC1(S(=O)(=O)c2ccccc2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380114
Phase Preclinical
Structure Type MOL
InChI Key BEOOXRNKEBQHMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
2.72
ALogP
3
HBA
0
HBD
37.4
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 C15H23NO2S
MW 281.42
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.42

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