Compound Detail
CHEMBL415795
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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)[C@@H](C)NC(=O)CNC(=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(N)=O
Basic Information
| ChEMBL ID | CHEMBL415795 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AQXYHKIZMZEAGF-DFQGMJKVSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1375.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.12
Ki 3 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.7 | 7.7 | 19.8 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.67 | 6.67 | 213.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861405 | 10.1021/jm00004a002 | Cavia porcellus | 2 |
| 14711314 | 10.1021/jm030298e | Kappa-type opioid receptor | 1 |
| 14711314 | 10.1021/jm030298e | Mu-type opioid receptor | 1 |
| 14711314 | 10.1021/jm030298e | Delta-type opioid receptor | 1 |
| 14711314 | 10.1021/jm030298e | Opioid receptors; mu/kappa/delta | 1 |
| 7861405 | 10.1021/jm00004a002 | Kappa-type opioid receptor | 1 |
| 7861405 | 10.1021/jm00004a002 | Mu-type opioid receptor | 1 |
| 7861405 | 10.1021/jm00004a002 | Delta-type opioid receptor | 1 |
| 7861405 | 10.1021/jm00004a002 | Opioid receptors; mu & kappa | 1 |
| 7861405 | 10.1021/jm00004a002 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine