Compound Detail
CHEMBL412364
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL412364 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HQGLMUPOASCLOC-GAFYAZJLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1560.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 8.0 | nM | 8.1 | Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioli... | 9111295 |
| Mu-type opioid receptor | Ki | = | 75.0 | nM | 7.12 | Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligan... | 9111295 |
| Delta-type opioid receptor | Ki | = | 3300.0 | nM | 5.48 | Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioli... | 9111295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111295 | 10.1021/jm960753p | Kappa-type opioid receptor | 3 |
| 9111295 | 10.1021/jm960753p | Mu-type opioid receptor | 1 |
| 9111295 | 10.1021/jm960753p | Delta-type opioid receptor | 1 |
| 9111295 | 10.1021/jm960753p | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine