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Compound Detail

CHEMBL383232

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O=S(=O)(c1ccccc1)C1(CCCN2CCOCC2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383232
Phase Preclinical
Structure Type MOL
InChI Key LSDHSRPRRFJFNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.5
MW (Da)
2.50
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.81
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 C17H25NO3S
MW 323.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.89

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