Compound Detail
CHEMBL263366
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CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)CCNC1=O
Basic Information
| ChEMBL ID | CHEMBL263366 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ATJBGHAJWAUIGB-HUCZMNRHSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1488.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.5 | nM | 8.6 | Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioli... | 9111295 |
| Mu-type opioid receptor | Ki | = | 4.8 | nM | 8.32 | Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligan... | 9111295 |
| Cavia porcellus | IC50 | = | 22.0 | nM | 7.66 | Opioid activity in guinea pig ileum | 9111295 |
| Delta-type opioid receptor | Ki | = | 180.0 | nM | 6.75 | 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