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Compound Detail

CHEMBL141463

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO

Basic Information

ChEMBL ID CHEMBL141463
Phase Preclinical
Structure Type MOL
InChI Key QHELXIATGZYOIB-DOFZRALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.6
MW (Da)
4.60
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H39NO3
MW 377.57
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.64

Activity Summary

Ki 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 6.44 6.44 363.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8893848 10.1021/jm960152y Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine