Compound Detail
CHEMBL4557358
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4557358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYNMWWFWGBKARG-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.32
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.44
EC50 1 meas. best 7.02
IC50 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 7.67 | 7.67 | 21.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.19 | 7.19 | 64.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.02 | 7.02 | 95.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell me... | 27309150 |
| Cannabinoid receptor 2 | IC50 | = | 21.6 | nM | 7.67 | Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assess... | 27309150 |
| Cannabinoid receptor 1 | Ki | = | 64.8 | nM | 7.19 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA ce... | 27309150 |
| Cannabinoid receptor 2 | EC50 | = | 95.1 | nM | 7.02 | Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assess... | 27309150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 2 | 7 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 1 | 1 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine