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Compound Detail

CHEMBL36774

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1cccs1

Basic Information

ChEMBL ID CHEMBL36774
Phase Preclinical
Structure Type MOL
InChI Key JVBGBRBEKHETSN-DOFZRALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
7.94
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36O2S
MW 400.63
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12672252 10.1021/jm0210818 Homo sapiens 2
12672252 10.1021/jm0210818 Fatty-acid amide hydrolase 1 2
12672252 10.1021/jm0210818 Cannabinoid receptor 1 1
12672252 10.1021/jm0210818 Cannabinoid receptor 2 1
12672252 10.1021/jm0210818 Transient receptor potential cation channel subfamily V member 1 1
11741470 10.1021/jm015545y U-937 1
11741470 10.1021/jm015545y Cannabinoid receptor 1 1
11741470 10.1021/jm015545y Cannabinoid receptor 2 1
11741470 10.1021/jm015545y Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine