Compound Detail
CHEMBL3353454
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 | CHEMBL3353454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRIXWKFEHIPSIP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.30
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.28 | 7.28 | 52.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.35 | nM | 9.46 | Displacement of [3H]CP-55,940 from human recombinant CB2R expressed in HEK-293 c... | 25272206 |
| Cannabinoid receptor 1 | Ki | = | 52.9 | nM | 7.28 | Displacement of [3H]CP-55,940 from human recombinant CB1R expressed in HEK-293 c... | 25272206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 1 | 1 |
| 25272206 | 10.1021/jm500807e | Cannabinoid receptor 2 | 1 |
| 25272206 | 10.1021/jm500807e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine