Compound Detail
CHEMBL4849400
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Basic Information
| ChEMBL ID | CHEMBL4849400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXGIDMVFIFMGAK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
5.20
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.79
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.98 | 6.975 | 104.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 104.71 | nM | 6.98 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 2 | Ki | = | 106.0 | nM | 6.97 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 2 | 4 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine