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Compound Detail

CHEMBL15873

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC

Basic Information

ChEMBL ID CHEMBL15873
Phase Preclinical
Structure Type MOL
InChI Key DCUXLBLUWUQKFU-GKFVBPDJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
6.27
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H37NO
MW 331.54
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.40

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9057852 10.1021/jm960752x Cannabinoid receptor 1 1
10328303 10.1016/s0960-894x(99)00148-1 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine