Compound Detail
CHEMBL499066
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 | CHEMBL499066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBTYATWGNXKNSB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.8
MW (Da)
6.02
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 10.82 | 9.73 | 0.0 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.07 | 6.015 | 850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.015 | nM | 10.82 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 1.3 | nM | 8.89 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 2.3 | nM | 8.64 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 850.0 | nM | 6.07 | Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium bi... | 18680277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 1 | 6 |
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 2 | 6 |
| 18680277 | 10.1021/jm800463f | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine