Compound Detail
CHEMBL4208217
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Basic Information
| ChEMBL ID | CHEMBL4208217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYIIIMYTCWNUID-PGLRJTKFSA-N |
3
Targets
5
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.49
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.77
EC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.77 | 7.63 | 1.7 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.61 | 7.61 | 24.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Rattus norvegicus |
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presen... | 30196704 |
| Cannabinoid receptor 1 | EC50 | = | 4.8 | nM | 8.32 | Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhib... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell m... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 24.7 | nM | 7.61 | Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell m... | 30196704 |
| Cannabinoid receptor 1 | Ki | = | 326.0 | nM | 6.49 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absenc... | 30196704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Cannabinoid receptor 1 | 4 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Cannabinoid receptor 2 | 2 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Fatty-acid amide hydrolase 1 | 2 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine