Compound Detail
CHEMBL422637
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 | CHEMBL422637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODNJTVUXNSNHFF-URPRIDOGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
6.35
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Ki 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.76 | 5.76 | 1720.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1720.0 | nM | 5.76 | Concentration required to displace 0.4 nM [3H]SR-141,716A from CB1 receptor in r... | 11229744 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibitory concentration against fatty acid amide hydrolase | 16078824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229744 | 10.1016/s0960-894x(00)00689-2 | Rattus norvegicus | 4 |
| 11229744 | 10.1016/s0960-894x(00)00689-2 | Cannabinoid receptor 1 | 1 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine