Compound Detail
CHEMBL1209708
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Basic Information
| ChEMBL ID | CHEMBL1209708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMYGECJTVMCGEP-HDICACEKSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
4.39
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.6
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 7.6 | 7.6 | 25.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 270000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 270000.0 | 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 2 | Ki | = | 0.7943 | nM | 9.1 | Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in ins... | 21316962 |
| Cannabinoid receptor 1 | Ki | = | 1.259 | nM | 8.9 | Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in ins... | 21316962 |
| Cannabinoid receptor 1 | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after ... | 20634067 |
| Cannabinoid receptor 1 | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luc... | 21316962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316962 | 10.1016/j.bmcl.2011.01.082 | Cannabinoid receptor 1 | 2 |
| 20634067 | 10.1016/j.bmcl.2010.06.067 | Cannabinoid receptor 1 | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | No relevant target | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | ADMET | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | Liver microsomes | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine