Compound Detail
CHEMBL497811
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Basic Information
| ChEMBL ID | CHEMBL497811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUBUGSKBMMXSOU-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.74
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.21 | 8.21 | 6.1 | 3 |
| Unchecked CHEMBL612545 | Ki | 6.5 | 6.5 | 319.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.98 | 5.98 | 1054.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.98 | 5.98 | 1054.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 6.1 | nM | 8.21 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor | 19143566 |
| Cannabinoid receptor 2 | Ki | = | 6.095 | nM | 8.21 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay | 19249138 |
| Cannabinoid receptor 2 | Ki | = | 6.1 | nM | 8.21 | Binding affinity to CB2 receptor (unknown origin) | 23672690 |
| Unchecked | Ki | = | 319.0 | nM | 6.5 | Displacement of [3H]-WIN55212-2 from HEK293 cell membrane lacking CB1R and CB2R ... | 36708677 |
| Cannabinoid receptor 1 | Ki | = | 1054.0 | nM | 5.98 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 19143566 |
| Cannabinoid receptor 1 | Ki | = | 1054.39 | nM | 5.98 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay | 19249138 |
| Cannabinoid receptor 1 | Ki | = | 1054.0 | nM | 5.98 | Binding affinity to CB1 receptor (unknown origin) | 23672690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Unchecked | 2 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 1 | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 2 | 1 |
| 23672690 | 10.1021/jm400132d | Unchecked | 1 |
| 23672690 | 10.1021/jm400132d | Cannabinoid receptor 1 | 1 |
| 23672690 | 10.1021/jm400132d | Cannabinoid receptor 2 | 1 |
| 36708677 | 10.1016/j.ejmech.2023.115123 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine