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Compound Detail

CHEMBL218643

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CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3

Basic Information

ChEMBL ID CHEMBL218643
Phase Preclinical
Structure Type MOL
InChI Key HVLBCVJJDOICDV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
1.65
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24N2O2S
MW 272.41
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.81

Activity Summary

Ki 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 5.18 5.18 6670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19762126 10.1016/j.ejmech.2009.08.003 Cannabinoid receptor 1 3
17228882 10.1021/jm0601102 Peroxisome proliferator-activated receptor alpha 2
19762126 10.1016/j.ejmech.2009.08.003 Cannabinoid receptor 2 2
17228882 10.1021/jm0601102 Rattus norvegicus 1
19762126 10.1016/j.ejmech.2009.08.003 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine