Compound Detail
CHEMBL4284943
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Basic Information
| ChEMBL ID | CHEMBL4284943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGFTVZGGGIPQOQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.36
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 7.2 | 7.2 | 62.9 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.92 | 6.92 | 120.1 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.85 | 5.85 | 1406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 4.4 | nM | 8.36 | Agonist activity at N-terminal HA-tagged human CB2 receptor expressed in HEK293 ... | 29407590 |
| Cannabinoid receptor 1 | EC50 | = | 62.9 | nM | 7.2 | Agonist activity at N-terminal HA-tagged human CB1 receptor expressed in HEK293 ... | 29407590 |
| Cannabinoid receptor 2 | Ki | = | 120.1 | nM | 6.92 | Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expres... | 29407590 |
| Cannabinoid receptor 1 | Ki | = | 1406.0 | nM | 5.85 | Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expres... | 29407590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 2 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 1 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | HEK293 | 2 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Unchecked | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Proprotein convertase subtilisin/kexin type 9 | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Free fatty acid receptor 4 | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Interleukin-17A | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Leishmania donovani | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Potassium voltage-gated channel subfamily KQT member 2 | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Potassium voltage-gated channel subfamily KQT member 3 | 1 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Nicotinamide N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine