Compound Detail
CHEMBL414767
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL414767 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XJPYUNRZUKADMX-FKPOJLNCSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1794.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.12
Ki 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 9.12 | 8.7 | 0.8 | 2 |
| Nociceptin receptor CHEMBL3621 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.1288 | nM | 9.89 | Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) exp... | 15743186 |
| Nociceptin receptor | EC50 | = | 0.7586 | nM | 9.12 | Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing ... | 15743186 |
| Nociceptin receptor | EC50 | = | 5.248 | nM | 8.28 | Agonist potency against GTPgammaS binding in CHO cell membranes expressing the h... | 15743186 |
| Nociceptin receptor | Ki | = | 19.95 | nM | 7.7 | Affinity to nociceptin receptors on mouse forebrain membranes by [3H]NC-NH2 disp... | 10956188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743186 | 10.1021/jm040106v | Nociceptin receptor | 13 |
| 10956188 | 10.1021/jm990075h | Mus musculus | 3 |
| 10956188 | 10.1021/jm990075h | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine