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Compound Detail

CHEMBL218794

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CCCCCCCCCCCCCCCCCCNS(N)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218794
Phase Preclinical
Structure Type MOL
InChI Key QIJYZYSUOVKJCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.6
MW (Da)
5.04
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H40N2O2S
MW 348.60
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
17228882 10.1021/jm0601102 Peroxisome proliferator-activated receptor alpha 2
19762126 10.1016/j.ejmech.2009.08.003 Cannabinoid receptor 1 2
19762126 10.1016/j.ejmech.2009.08.003 Fatty-acid amide hydrolase 1 2
17228882 10.1021/jm0601102 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine