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Compound Detail

CHEMBL262560

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

Basic Information

ChEMBL ID CHEMBL262560
Phase Preclinical
Structure Type MOL
InChI Key DCPCOKIYJYGMDN-NZRYSPDRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

378.6
MW (Da)
5.03
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H38O4
MW 378.55
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.21

Activity Summary

Ki 2 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 2500.0 1
Unchecked
CHEMBL612545
Ki 5.0 5.0 10000.0 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