Compound Detail
CHEMBL4516360
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Basic Information
| ChEMBL ID | CHEMBL4516360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIFGXRPARMHXLK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
6.35
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.57
EC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]-CP55940 from human CB2 receptor | 27482723 |
| Cannabinoid receptor 1 | Ki | = | 3.62 | nM | 8.44 | Displacement of [3H]-CP55940 from human CB1 receptor | 27482723 |
| Cannabinoid receptor 1 | EC50 | = | 104.0 | nM | 6.98 | Agonist activity at human CB1R expressed in CHO cells by Ca2+ flux assay | 27482723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 1 | 3 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | ADMET | 3 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine