Compound Detail
CHEMBL150849
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 | CHEMBL150849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYLOWTBDBGDCHK-DOFZRALJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.63
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.94
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.94 | 6.905 | 115.0 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.45 | 5.45 | 3540.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 115.0 | nM | 6.94 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 134.0 | nM | 6.87 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 2 | Ki | = | 3540.0 | nM | 5.45 | Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes usin... | 9876105 |
| Cannabinoid receptor 1 | EC50 | = | 7943.28 | nM | 5.1 | Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor | 16420041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 1 | 2 |
| 16420041 | 10.1021/jm0505157 | Cannabinoid receptor 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine