Compound Detail
CHEMBL563304
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL563304 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JVFSODOWYPUPIV-QHDHUYINSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1023.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.16
Ki 2 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.88 | 8.88 | 1.3 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.46 | 6.46 | 344.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 5.22 | 5.22 | 6085.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.33 | nM | 8.88 | Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2... | 19642675 |
| Mu-type opioid receptor | IC50 | = | 6.9 | nM | 8.16 | Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle... | 19642675 |
| Delta-type opioid receptor | IC50 | = | 344.0 | nM | 6.46 | Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhi... | 19642675 |
| Delta-type opioid receptor | Ki | = | 6085.0 | nM | 5.22 | Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley ra... | 19642675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19642675 | 10.1021/jm900686q | Delta-type opioid receptor | 2 |
| 19642675 | 10.1021/jm900686q | Mu-type opioid receptor | 2 |
| 19642675 | 10.1021/jm900686q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine