Compound Detail
CHEMBL5079758
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CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)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(N)=O
Basic Information
| ChEMBL ID | CHEMBL5079758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOFADBNLTCTNJT-ZDFGDACUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1395.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | EC50 | 8.43 | 8.43 | 3.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | EC50 | = | 3.715 | nM | 8.43 | Agonist activity at human NOP receptor expressed in CHO cells assessed as stimul... | 33998786 |
| Mu-type opioid receptor | EC50 | = | 562.34 | nM | 6.25 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 33998786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Nociceptin receptor | 2 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Mu-type opioid receptor | 2 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine