Compound Detail
CHEMBL412494
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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL412494 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OODHJMPCOPKKSM-XVRHLUALSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1339.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
EC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 7.31 | 7.31 | 49.4 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.5 | 6.5 | 313.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 0.79 | nM | 9.1 | Agonist activity at human Melanocortin-4 receptor as peptide required for 50% ma... | 15857110 |
| Melanocortin receptor 4 | Ki | = | 2.54 | nM | 8.6 | Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-4 receptor expressed i... | 15857110 |
| Melanocyte-stimulating hormone receptor | Ki | = | 49.42 | nM | 7.31 | Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed i... | 15857110 |
| Melanocortin receptor 3 | Ki | = | 313.48 | nM | 6.5 | Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed ... | 15857110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857110 | 10.1021/jm0501432 | Melanocortin receptor 4 | 3 |
| 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