Compound Detail
CHEMBL3353427
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Basic Information
| ChEMBL ID | CHEMBL3353427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXLYAPSVJBMCRY-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.48
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.62
IC50 1 meas. best 6.68
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.62 | 7.62 | 23.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.27 | 7.27 | 53.3 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 23.7 | nM | 7.62 | Agonist activity at human recombinant CB2R expressed in U2OS cells assessed as b... | 25272206 |
| Cannabinoid receptor 2 | Ki | = | 53.3 | nM | 7.27 | Displacement of [3H]CP-55,940 from human recombinant CB2R expressed in HEK-293 c... | 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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 2 | 3 |
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 1 | 1 |
| 25272206 | 10.1021/jm500807e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine