Compound Detail
CHEMBL262544
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C[C@H](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](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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Basic Information
| ChEMBL ID | CHEMBL262544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SULXKHKRQBXLOJ-WBMOPDPASA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1939.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.62
Ki 1 meas. best 10.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 10.5 | 10.5 | 0.0 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 9.62 | 9.325 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.03162 | nM | 10.5 | Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) exp... | 15743186 |
| Nociceptin receptor | EC50 | = | 0.2399 | nM | 9.62 | Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing ... | 15743186 |
| Nociceptin receptor | EC50 | = | 0.9333 | nM | 9.03 | Agonist potency against GTPgammaS binding in CHO cell membranes expressing the h... | 15743186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743186 | 10.1021/jm040106v | Nociceptin receptor | 13 |
Data from ChEMBL 36 via Core Engine