Compound Detail
CHEMBL485369
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Basic Information
| ChEMBL ID | CHEMBL485369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZHCSJBKBARIFQ-NILUWUTCSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.6
MW (Da)
5.38
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.55
EC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.72 | 6.63 | 190.6 | 2 |
| Cannabinoid receptor 1 CHEMBL3037 | EC50 | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19361197 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 47.0 | nM | 7.33 | Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed a... | 19361197 |
| Cannabinoid receptor 2 | Ki | = | 190.55 | nM | 6.72 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 290.0 | nM | 6.54 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19361197 |
| Cannabinoid receptor 1 | EC50 | = | 2550.0 | nM | 5.59 | Agonist activity at CB1 receptor expressed in mouse brain membrane by [35S]GTPga... | 19361197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361197 | 10.1021/jm900130m | Cannabinoid receptor 1 | 3 |
| 19361197 | 10.1021/jm900130m | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 19361197 | 10.1021/jm900130m | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine