Compound Detail
CHEMBL404976
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL404976 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BXGXJEMEYIJXSW-QGLCVQHVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1631.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 10.0 | nM | 8.0 | Compound was tested for binding affinity towards mu-opioid receptor in rat foreb... | 8097539 |
| Kappa-type opioid receptor | Ki | = | 50.0 | nM | 7.3 | Compound was tested for binding affinity towards kappa opioid receptor in guinea... | 8097539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097539 | 10.1021/jm00060a018 | Kappa-type opioid receptor | 1 |
| 8097539 | 10.1021/jm00060a018 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine