Compound Detail
CHEMBL564901
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Basic Information
| ChEMBL ID | CHEMBL564901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRZUOBIFOHQHRD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
7.48
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.22 | 9.215 | 0.6 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 0.6194 | nM | 9.21 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay | 19249138 |
| Cannabinoid receptor 1 | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay | 19249138 |
| Cannabinoid receptor 1 | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Unchecked | 2 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 1 | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine