Compound Detail
CHEMBL269068
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C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL269068 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LBZMGFMIRYMDNB-ZJXZEEHCSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1922.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.68
Ki 2 meas. best 9.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 9.75 | 9.75 | 0.2 | 1 |
| Nociceptin receptor CHEMBL2014 | Kd | 8.68 | 8.68 | 2.1 | 1 |
| Nociceptin receptor CHEMBL3621 | Kd | 7.46 | 7.46 | 34.7 | 1 |
| Nociceptin receptor CHEMBL5492 | Kd | 7.33 | 7.33 | 46.8 | 1 |
| Nociceptin receptor CHEMBL4503 | Kd | 7.06 | 7.06 | 87.1 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.17 | 6.17 | 676.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.1778 | nM | 9.75 | Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO c... | 17490886 |
| Nociceptin receptor | Kd | = | 2.089 | nM | 8.68 | Antagonist activity at human NOP receptor expressed in CHO cells by [35S]GTP-gam... | 17490886 |
| Nociceptin receptor | Kd | = | 34.67 | nM | 7.46 | Antagonist activity at NOP receptor in Swiss mouse vas deferens by [35S]GTP-gamm... | 17490886 |
| Nociceptin receptor | Kd | = | 46.77 | nM | 7.33 | Antagonist activity at NOP receptor in Albino guinea pig ileum assessed as effec... | 17490886 |
| Nociceptin receptor | Kd | = | 87.1 | nM | 7.06 | Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed ... | 17490886 |
| Kappa-type opioid receptor | Ki | = | 676.08 | nM | 6.17 | Displacement of [3H]diprenorphine from human recombinant kappa opioid receptor e... | 17490886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17490886 | 10.1016/j.bmc.2007.04.026 | Nociceptin receptor | 9 |
| 17490886 | 10.1016/j.bmc.2007.04.026 | Mu-type opioid receptor | 1 |
| 17490886 | 10.1016/j.bmc.2007.04.026 | Delta-type opioid receptor | 1 |
| 17490886 | 10.1016/j.bmc.2007.04.026 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine