Compound Detail
CHEMBL411481
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Basic Information
| ChEMBL ID | CHEMBL411481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYNSGDFWBJWWSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
5.22
ALogP
5
HBA
0
HBD
72.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.85 | 6.85 | 141.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 4.83 | 4.83 | 14791.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 141.0 | nM | 6.85 | Binding affinity to CB1 receptor | 18363352 |
| Cannabinoid receptor 2 | Ki | = | 14791.08 | nM | 4.83 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18363352 | 10.1021/jm701519h | Cannabinoid receptor 1 | 1 |
| 18363352 | 10.1021/jm701519h | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine