Compound Detail
CHEMBL1790779
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CC(=O)OC[C@@H]1O[C@H](O[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)C(=O)NCC(N)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1790779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITHFVVNDRLMZIL-XNVUXVICSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1200.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.2 | 6.2 | 634.9 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 1.3 | nM | 8.89 | Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-P... | 9288177 |
| Mu-type opioid receptor | Ki | = | 634.9 | nM | 6.2 | Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,M... | 9288177 |
| Oryctolagus cuniculus | IC50 | = | 890.0 | nM | 6.05 | Bioactivity in vitro in rabbit jejunum (RJ) isolated organ preparation | 9288177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9288177 | 10.1021/jm970119r | Delta-type opioid receptor | 1 |
| 9288177 | 10.1021/jm970119r | Mu-type opioid receptor | 1 |
| 9288177 | 10.1021/jm970119r | Oryctolagus cuniculus | 1 |
| 9288177 | 10.1021/jm970119r | Mus musculus | 1 |
| 9288177 | 10.1021/jm970119r | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine