Compound Detail
CHEMBL409204
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C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL409204 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZQZDAFPJLYANMV-QHYQKCGXSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1426.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.87
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | EC50 | 9.87 | 9.87 | 0.1 | 1 |
| Nociceptin receptor CHEMBL3621 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | EC50 | = | 0.1349 | nM | 9.87 | Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably express... | 11689082 |
| Nociceptin receptor | Ki | = | 0.302 | nM | 9.52 | Inhibition of [3H]NC-NH2 binding to mouse forebrain membranes | 11689082 |
| Homo sapiens | EC50 | = | 7.079 | nM | 8.15 | Agonist activity in the electrically stimulated mouse vas deferens | 11689082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689082 | 10.1021/jm010221v | Nociceptin receptor | 4 |
| 11689082 | 10.1021/jm010221v | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine