Compound Detail
CHEMBL264846
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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](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[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 | CHEMBL264846 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LBHPHSQWJHMNGV-QMLOSLAFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1826.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.18
Ki 1 meas. best 10.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 10.66 | 10.66 | 0.0 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 10.18 | 9.845 | 0.1 | 2 |
| Nociceptin receptor CHEMBL5492 | EC50 | 8.73 | 8.73 | 1.9 | 1 |
| Nociceptin receptor CHEMBL3621 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.02188 | nM | 10.66 | Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) exp... | 15743186 |
| Nociceptin receptor | EC50 | = | 0.06607 | nM | 10.18 | Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing ... | 15743186 |
| Nociceptin receptor | EC50 | = | 0.309 | nM | 9.51 | Agonist potency against GTPgammaS binding in CHO cell membranes expressing the h... | 15743186 |
| Nociceptin receptor | EC50 | = | 1.862 | nM | 8.73 | Inhibition of electrically evoked contraction of guinea pig ileum | 15743186 |
| Nociceptin receptor | EC50 | = | 2.57 | nM | 8.59 | Inhibition of electrically evoked contraction of mouse vas deferens | 15743186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743186 | 10.1021/jm040106v | Nociceptin receptor | 13 |
Data from ChEMBL 36 via Core Engine