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Compound Detail

CHEMBL201758

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)CCC

Basic Information

ChEMBL ID CHEMBL201758
Phase Preclinical
Structure Type MOL
InChI Key TVEVVHHVLQUIBI-GKFVBPDJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.6
MW (Da)
6.66
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H39NO
MW 345.57
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.39

Activity Summary

EC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
EC50 5.9 5.9 1258.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 EC50 = 1258.93 nM 5.9 Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor 16420041

Literature References

PubMed DOI Target Context # Activities
16420041 10.1021/jm0505157 Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine