Compound Detail
CHEMBL146346
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Basic Information
| ChEMBL ID | CHEMBL146346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUJUUWXZAQHCNC-DOFZRALJSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
364.6
MW (Da)
5.50
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.7 | 7.65 | 20.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.68 | 7.68 | 21.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | - |
| T1/2 | - | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 ce... | 22044209 |
| Cannabinoid receptor 1 | Ki | = | 21.0 | nM | 7.68 | Binding affinity for cannabinoid receptor 1 | 16078824 |
| Cannabinoid receptor 1 | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]HU-243 from CB1 receptor of rat brain synaptosomal membranes | 23865723 |
| Cannabinoid receptor 1 | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA c... | 21675776 |
| Cannabinoid receptor 2 | Ki | = | 3000.0 | nM | 5.52 | Binding affinity to human CB2 receptor | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584958 | 10.1021/jm030877j | No relevant target | 4 |
| 16078824 | 10.1021/jm058183t | Cannabinoid receptor 1 | 1 |
| 17110113 | 10.1016/j.bmc.2006.10.049 | Cannabinoid receptor 1 | 1 |
| 21675776 | 10.1021/jm2004392 | Cannabinoid receptor 1 | 1 |
| 21675776 | 10.1021/jm2004392 | Cannabinoid receptor 2 | 1 |
| 22044209 | 10.1021/jm200529h | Cannabinoid receptor 1 | 1 |
| 22044209 | 10.1021/jm200529h | Cannabinoid receptor 2 | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine