Compound Detail
CHEMBL412792
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL412792 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SUPKCEIYQPWSIT-XNKRCNKPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1451.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 5.9 | nM | 8.23 | Inhibition of binding [3H]U-69539 at Opioid receptor kappa 1 of guinea pig brain... | 8691442 |
| Mu-type opioid receptor | IC50 | = | 86.0 | nM | 7.07 | Inhibition of binding [3H]DAMGO at Opioid receptor mu 1 of guinea pig brain memb... | 8691442 |
| Cavia porcellus | IC50 | = | 370.0 | nM | 6.43 | Evaluated for its ability to inhibit the electrically evoked contraction of the ... | 8691442 |
| Delta-type opioid receptor | IC50 | = | 740.0 | nM | 6.13 | Agonistic activity towards Opioid receptor delta 1 was determined by evaluating ... | 8691442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691442 | 10.1021/jm950655o | Kappa-type opioid receptor | 1 |
| 8691442 | 10.1021/jm950655o | Mu-type opioid receptor | 1 |
| 8691442 | 10.1021/jm950655o | Delta-type opioid receptor | 1 |
| 8691442 | 10.1021/jm950655o | Cavia porcellus | 1 |
| 8691442 | 10.1021/jm950655o | Opioid receptors; mu & kappa | 1 |
| 8691442 | 10.1021/jm950655o | Opioid receptors; delta & kappa | 1 |
| 8691442 | 10.1021/jm950655o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine