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Compound Detail

CHEMBL234884

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CN(C)CCc1cccc(-c2cccs2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234884
Phase Preclinical
Structure Type MOL
InChI Key LMKNFUKXFBEEAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.4
MW (Da)
3.52
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NS
MW 231.36
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
17419056 10.1016/j.bmcl.2007.03.054 5-hydroxytryptamine receptor 7 3
17419056 10.1016/j.bmcl.2007.03.054 5-hydroxytryptamine receptor 1A 3

Data from ChEMBL 36 via Core Engine