Compound Detail
CHEMBL4208628
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Basic Information
| ChEMBL ID | CHEMBL4208628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGRTYPSRMWVBI-MVYUADCHSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
5.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.11
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.11 | 8.08 | 7.8 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.75 | 6.75 | 176.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.18 | 6.18 | 653.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 0.6 | nM | 9.22 | Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhib... | 30196704 |
| Cannabinoid receptor 1 | Ki | = | 7.8 | nM | 8.11 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absenc... | 30196704 |
| Cannabinoid receptor 1 | Ki | = | 8.9 | nM | 8.05 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presen... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 176.0 | nM | 6.75 | Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell m... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 653.0 | nM | 6.18 | Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell m... | 30196704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Mus musculus | 7 |
| 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 | Monoglyceride lipase | 1 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Monoacylglycerol lipase ABHD6 | 1 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine