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Compound Detail

CHEMBL331170

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

Basic Information

ChEMBL ID CHEMBL331170
Phase Preclinical
Structure Type MOL
InChI Key HCQOANBAXGVZTC-BVFZWAKASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.18
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.24
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 C22H37NO4
MW 379.54
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.99

Activity Summary

Ki 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 5.9 5.9 1260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12166944 10.1021/jm020818q Cannabinoid receptor 1 1
12166944 10.1021/jm020818q Cannabinoid receptor 2 1
12166944 10.1021/jm020818q Fatty-acid amide hydrolase 1 1
12166944 10.1021/jm020818q Unchecked 1

Data from ChEMBL 36 via Core Engine