Compound Detail
CHEMBL2370495
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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)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)CN1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2370495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNNOAPBNQWNWSP-PGGYXFKHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1319.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 0.24 | nM | 9.62 | Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate ... | 7658433 |
| Cavia porcellus | IC50 | = | 2.1 | nM | 8.68 | Binding affinity against smooth muscle tissue of Guinea pig ileum | 7658433 |
| Mu-type opioid receptor | IC50 | = | 5.2 | nM | 8.28 | Binding affinity against Opioid receptor mu 1 from Guinea pig brain homogenate u... | 7658433 |
| Delta-type opioid receptor | IC50 | = | 18.0 | nM | 7.75 | Binding affinity against delta opioid receptor of Guinea pig brain homogenate us... | 7658433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658433 | 10.1021/jm00018a006 | Kappa-type opioid receptor | 2 |
| 7658433 | 10.1021/jm00018a006 | Mu-type opioid receptor | 1 |
| 7658433 | 10.1021/jm00018a006 | Delta-type opioid receptor | 1 |
| 7658433 | 10.1021/jm00018a006 | Cavia porcellus | 1 |
| 7658433 | 10.1021/jm00018a006 | Unchecked | 1 |
| 7658433 | 10.1021/jm00018a006 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine