Compound Detail
CHEMBL263948
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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(C)=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(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL263948 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WHNFPRLDDSXQCL-FUIFCCQZSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1664.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
EC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCR CHEMBL614332 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 9.72 | 9.72 | 0.2 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.41 | 7.41 | 38.7 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.25 | 6.25 | 557.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCR | EC50 | = | 0.15 | nM | 9.82 | Effective concentration was measured against frog skin MCR cells at 10 e-4 10 e-... | 9216831 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.19 | nM | 9.72 | effective concentration of peptide at 50% maximal cAMP accumulation on Melanocor... | 9216831 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 5.97 | nM | 8.22 | Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM | 9216831 |
| Melanocortin receptor 4 | IC50 | = | 38.7 | nM | 7.41 | Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM | 9216831 |
| Melanocortin receptor 3 | IC50 | = | 50.04 | nM | 7.3 | Displacement of [125I]NDP-MSH from Melanocortin 3 receptor at 10 uM | 9216831 |
| Melanocortin receptor 5 | IC50 | = | 557.0 | nM | 6.25 | Displacement of [125I]NDP-MSH from Melanocortin 5 receptor at 10 uM | 9216831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216831 | 10.1021/jm960840h | Melanocyte-stimulating hormone receptor | 2 |
| 9216831 | 10.1021/jm960840h | MCR | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 3 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 4 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine