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Compound Detail

CHEMBL348654

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CCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21

Basic Information

ChEMBL ID CHEMBL348654
Phase Preclinical
Structure Type MOL
InChI Key QKXRHYJSCZFHEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
6.13
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO
MW 341.45
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.72

Activity Summary

Ki 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor
CHEMBL2096981
Ki 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor Ki = 22.0 nM 7.66 Binding affinity was determined in vitro against cannabinoid receptor by ability... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80155-4 Cannabinoid receptor 1
- 10.1016/S0960-894X(01)80155-4 Mus musculus 1

Data from ChEMBL 36 via Core Engine