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Compound Detail

CHEMBL140773

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC(O)C1

Basic Information

ChEMBL ID CHEMBL140773
Phase Preclinical
Structure Type MOL
InChI Key HLRMILRIEWVXPR-DOFZRALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.6
MW (Da)
6.12
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41NO2
MW 387.61
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.39

Activity Summary

Ki 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 5.77 5.77 1690.0 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