Compound Detail
CHEMBL1076680
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Basic Information
| ChEMBL ID | CHEMBL1076680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABSMJNBBBBHGTP-BJUDXGSMSA-N |
| Parent Compound | CHEMBL1076685 |
| Active Moiety | CHEMBL1076685 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
5.82
ALogP
4
HBA
1
HBD
38.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.27 | nM | 9.57 | Binding affinity to rat brain CB2 receptor | 20137936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137936 | 10.1016/j.bmcl.2010.01.074 | Brain | 5 |
| 20137936 | 10.1016/j.bmcl.2010.01.074 | Blood | 5 |
| 20137936 | 10.1016/j.bmcl.2010.01.074 | Cannabinoid receptor 2 | 1 |
| 20137936 | 10.1016/j.bmcl.2010.01.074 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine