Compound Detail
CHEMBL429363
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C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[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 | CHEMBL429363 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VGIQAXFVGVVAML-QHYQKCGXSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1397.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.23
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | EC50 | 9.23 | 9.23 | 0.6 | 1 |
| Nociceptin receptor CHEMBL3621 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | EC50 | = | 0.5888 | nM | 9.23 | Agonist activity at human NOP receptor expressed in CHO cells assessed as stimul... | 33998786 |
| Nociceptin receptor | Ki | = | 3.981 | nM | 8.4 | Affinity to nociceptin receptors on mouse forebrain membranes by [3H]NC-NH2 disp... | 10956188 |
| Mus musculus | EC50 | = | 25.12 | nM | 7.6 | Compound was tested for agonistic activity against electrically evoked contracti... | 10956188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956188 | 10.1021/jm990075h | Mus musculus | 3 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Mu-type opioid receptor | 2 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Nociceptin receptor | 2 |
| 10956188 | 10.1021/jm990075h | Nociceptin receptor | 1 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine