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Compound Detail

CHEMBL121804

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

Basic Information

ChEMBL ID CHEMBL121804
Phase Preclinical
Structure Type MOL
InChI Key MRNMGNVOYBTKOE-UHGFVZJOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.21
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.22
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 C22H37NO3
MW 363.54
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.38

Activity Summary

Ki 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 5.6 5.6 2520.0 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