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Compound Detail

CHEMBL1923769

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CCCCCCc1ccc(OCCCCCCOC(CO)CO)cc1O

Basic Information

ChEMBL ID CHEMBL1923769
Phase Preclinical
Structure Type MOL
InChI Key FJDOXMYAELZIBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.82
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.39
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 C21H36O5
MW 368.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.55

Activity Summary

Ki 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
Ki 5.95 5.95 1130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22044209 10.1021/jm200529h Cannabinoid receptor 1 1
22044209 10.1021/jm200529h Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine