Compound Detail
CHEMBL97509
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Basic Information
| ChEMBL ID | CHEMBL97509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJKXRIMJMHAGSP-LAUBAEHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
4.96
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.65 | nM | 9.19 | Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in ra... | 8410999 |
| Kappa-type opioid receptor | Ki | = | 2.3 | nM | 8.64 | Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in gui... | 8410999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410999 | 10.1021/jm00072a002 | Kappa-type opioid receptor | 3 |
| 8410999 | 10.1021/jm00072a002 | Mu-type opioid receptor | 2 |
| 8410999 | 10.1021/jm00072a002 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine