Compound Detail
CHEMBL466223
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Basic Information
| ChEMBL ID | CHEMBL466223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTUSEGDNDWRYFF-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.04
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.72
EC50 2 meas. best 7.75
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.72 | 8.72 | 1.9 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.75 | 7.65 | 17.6 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19435366 |
| Cannabinoid receptor 2 | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]CP-55,940 from human recombinant CB2R expressed in HEK-293 c... | 25272206 |
| Cannabinoid receptor 2 | EC50 | = | 17.6 | nM | 7.75 | Agonist activity at human recombinant CB2R expressed in U2OS cells assessed as b... | 25272206 |
| Cannabinoid receptor 2 | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at human recombinant CB2R expressed in WIN-55212-stimulated U2O... | 25272206 |
| Cannabinoid receptor 2 | IC50 | = | 210.0 | nM | 6.68 | Displacement of [3H]CP-55,940 from human recombinant CB2R expressed in HEK-293 c... | 25272206 |
| Cannabinoid receptor 1 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19435366 |
| Cannabinoid receptor 1 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]CP-55,940 from human recombinant CB1R expressed in HEK-293 c... | 25272206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 2 | 4 |
| 19435366 | 10.1021/jm801563d | Cannabinoid receptor 2 | 1 |
| 19435366 | 10.1021/jm801563d | Unchecked | 1 |
| 19435366 | 10.1021/jm801563d | Cannabinoid receptor 1 | 1 |
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 1 | 1 |
| 25272206 | 10.1021/jm500807e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine