Compound Detail
CHEMBL4295181
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 | CHEMBL4295181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQIWYFWYFDTCAU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.77
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.15
Ki 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.15 | 7.15 | 70.2 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 70.2 | nM | 7.15 | Agonist activity at N-terminal HA-tagged human CB2 receptor expressed in HEK293 ... | 29407590 |
| Cannabinoid receptor 2 | Ki | = | 1660.0 | nM | 5.78 | Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expres... | 29407590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 2 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 1 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | HEK293 | 2 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine