Compound Detail
CHEMBL556388
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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)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL556388 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KUDFNAMEWORXOZ-UWALROLSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1967.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.89
IC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL4503 | IC50 | 9.64 | 9.64 | 0.2 | 1 |
| Nociceptin receptor CHEMBL4503 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | IC50 | = | 0.23 | nM | 9.64 | Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green... | 19577933 |
| Nociceptin receptor | EC50 | = | 1.3 | nM | 8.89 | Agonist activity at rat ORL1 receptor expressed in african green monkey COS7 cel... | 19577933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19577933 | 10.1016/j.bmc.2009.06.015 | Nociceptin receptor | 4 |
Data from ChEMBL 36 via Core Engine