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Compound Detail

CHEMBL5573266

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CCCCC/C=C\C/C=C\C/C=C\[C@@H](C)/C=C\CCCC(=O)OC(CO)CO

Basic Information

ChEMBL ID CHEMBL5573266
Phase Preclinical
Structure Type MOL
InChI Key UALQGVFKHLQMKV-AHAZDQFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.6
MW (Da)
5.27
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H40O4
MW 392.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.52

Activity Summary

EC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
EC50 7.46 7.46 34.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38894922 10.1021/acsmedchemlett.4c00175 Cannabinoid receptor 1 2
38894922 10.1021/acsmedchemlett.4c00175 Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine