Compound Detail
CHEMBL555145
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 | CHEMBL555145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARYYKXRDMRFVSR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195680 |
| Active Moiety | CHEMBL1195680 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.64
ALogP
4
HBA
2
HBD
77.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 420.0 | nM | 6.38 | In vitro inhibitory activity towards human cannabinoid receptors 2 using fluores... | 15993070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993070 | 10.1016/j.bmcl.2005.05.049 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine