Compound Detail
CHEMBL2029722
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Basic Information
| ChEMBL ID | CHEMBL2029722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAAGUWONZDCLSO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.45
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.21
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 8.21 | 8.21 | 6.2 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 53.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 6.2 | nM | 8.21 | Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35... | 22607668 |
| Cannabinoid receptor 1 | Ki | = | 7.3 | nM | 8.14 | Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells | 22607668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Cannabinoid receptor 1 | 3 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Cannabinoid receptor 2 | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Liver microsomes | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine