Compound Detail
CHEMBL414778
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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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)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 | CHEMBL414778 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OHFMRHZLQMSCRN-VKYCMGGFSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1578.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.82
IC50 4 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 6.31 | 6.31 | 490.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.02 | 6.02 | 951.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771429 | 10.1021/jm049579s | Melanocyte-stimulating hormone receptor | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 3 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 4 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine