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Compound Detail

CHEMBL568489

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNS(N)(=O)=O

Basic Information

ChEMBL ID CHEMBL568489
Phase Preclinical
Structure Type MOL
InChI Key WPQNWDPAOCIOFM-DOFZRALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.6
MW (Da)
4.93
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N2O2S
MW 368.59
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.28

Activity Summary

Ki 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 5.4 5.4 4010.0 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 2
19762126 10.1016/j.ejmech.2009.08.003 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine