Compound Detail
CHEMBL266782
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C=CCN(CC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL266782 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PUPCCTCXOWBBTI-JHLTVMAUSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1442.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.44
IC50 3 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.44 | 7.6867 | 3.6 | 3 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 7.67 | 6.72 | 21.3 | 3 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.5 | 7.5 | 31.7 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.83 | 6.83 | 149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276018 | 10.1021/jm960747t | Kappa-type opioid receptor | 7 |
| 9276018 | 10.1021/jm960747t | Mu-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Delta-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Cavia porcellus | 1 |
| 9276018 | 10.1021/jm960747t | Opioid receptors; mu/kappa/delta | 1 |
| 9276018 | 10.1021/jm960747t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine