Compound Detail
CHEMBL259654
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O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1
Basic Information
| ChEMBL ID | CHEMBL259654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTHMRYNWHQGSRZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
5.93
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 2.0 | nM | 8.7 | Activity at human CB1R expressed in HEK293 cells assessed as intracellular cAMP ... | 18335976 |
| Cannabinoid receptor 1 | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]CP-55940 from human CB1R expressed in HEK293 cells | 18335976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18335976 | 10.1021/jm701487t | Cannabinoid receptor 1 | 2 |
| 18335976 | 10.1021/jm701487t | Liver microsomes | 2 |
| 18335976 | 10.1021/jm701487t | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine