Compound Detail
CHEMBL160963
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Basic Information
| ChEMBL ID | CHEMBL160963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INTQROPTEPGCAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.8
MW (Da)
5.63
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 210.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 7.8 | nM | 8.11 | Displacement of [3H]CP-559440 from human CB1 receptor expressed in HEK293 cells | 17383180 |
| Cannabinoid receptor 1 | Ki | = | 9.0 | nM | 8.05 | Binding affinity was determined by using a competition assay with [125 I]- AM251... | 12570386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570386 | 10.1021/jm020157x | No relevant target | 2 |
| 17383180 | 10.1016/j.bmcl.2007.03.011 | Rattus norvegicus | 2 |
| 12570386 | 10.1021/jm020157x | Cannabinoid receptor 1 | 1 |
| 17383180 | 10.1016/j.bmcl.2007.03.011 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine