Compound Detail
CHEMBL5081993
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Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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 | CHEMBL5081993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRICIAQONPNSBW-SHNWFWOJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1515.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.64 | 8.36 | 2.3 | 2 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 8.39 | 8.05 | 4.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 2.291 | nM | 8.64 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 33998786 |
| Kappa-type opioid receptor | EC50 | = | 3.236 | nM | 8.49 | Agonist activity at human kappa opioid receptor expressed in CHO cells assessed ... | 33998786 |
| Nociceptin receptor | EC50 | = | 4.074 | nM | 8.39 | Agonist activity at human NOP receptor expressed in CHO cells assessed as stimul... | 33998786 |
| Mu-type opioid receptor | EC50 | = | 8.318 | nM | 8.08 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 33998786 |
| Nociceptin receptor | EC50 | = | 19.5 | nM | 7.71 | Agonist activity at human NOP receptor expressed in CHO cells assessed as dynami... | 33998786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Nociceptin receptor | 4 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Mu-type opioid receptor | 4 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Unchecked | 2 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Cavia porcellus | 2 |
| 33998786 | 10.1021/acs.jmedchem.0c02062 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine