Compound Detail
CHEMBL439691
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CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Basic Information
| ChEMBL ID | CHEMBL439691 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FPYYFGFPTJRMBR-JDFSLKTNSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1567.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.8
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 7.0 | 7.0 | 99.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | EC50 | = | 1.6 | nM | 8.8 | Effective concentration for intracellular cAMP accumulation in human melanocorti... | 15771429 |
| Melanocortin receptor 4 | EC50 | = | 34.0 | nM | 7.47 | Effective concentration for intracellular cAMP accumulation in human melanocorti... | 15771429 |
| Melanocortin receptor 3 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of [125I]NDP-MSH binding to Melanocortin 3 receptor expressed in HEK2... | 15771429 |
| Melanocortin receptor 4 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK2... | 15771429 |
| Melanocortin receptor 5 | EC50 | = | 99.0 | nM | 7.0 | Effective concentration for intracellular cAMP accumulation in human melanocorti... | 15771429 |
| Melanocortin receptor 5 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK2... | 15771429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 3 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 4 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine