Compound Detail
CHEMBL415165
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CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL415165 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BUVGQEXSQXRZQG-LBQSHGEUSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2007.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.05
EC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL2700 | Ki | 10.05 | 10.05 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.72 | 9.58 | 0.2 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 9.64 | 9.64 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 9.51 | 9.51 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 0.09 | nM | 10.05 | Binding affinity for rat melanocortin-4 receptor | 15857110 |
| Melanocyte-stimulating hormone receptor | Ki | = | 0.1 | nM | 10.0 | Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed i... | 15857110 |
| Melanocortin receptor 5 | Ki | = | 0.17 | nM | 9.77 | Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed i... | 15857110 |
| Melanocortin receptor 4 | EC50 | = | 0.19 | nM | 9.72 | Effective concentration against human melanocortin-4 receptor | 15857110 |
| Melanocortin receptor 3 | Ki | = | 0.23 | nM | 9.64 | Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed ... | 15857110 |
| Melanocortin receptor 4 | Ki | = | 0.31 | nM | 9.51 | Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-4 receptor expressed i... | 15857110 |
| Melanocortin receptor 4 | EC50 | = | 0.36 | nM | 9.44 | Agonist activity at human Melanocortin-4 receptor as peptide required for 50% ma... | 15857110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857110 | 10.1021/jm0501432 | Melanocortin receptor 4 | 5 |
| 15857110 | 10.1021/jm0501432 | Melanocyte-stimulating hormone receptor | 1 |
| 15857110 | 10.1021/jm0501432 | Melanocortin receptor 3 | 1 |
| 15857110 | 10.1021/jm0501432 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine