Compound Detail
CHEMBL413212
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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL413212 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XKNNYYXDOBIKRE-MYGWSCCLSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1058.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 10.74 | 10.74 | 0.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 10.2 | 10.2 | 0.1 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.93 | 9.93 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 0.018 | nM | 10.74 | Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor | 7658432 |
| Melanocortin receptor 3 | EC50 | = | 0.063 | nM | 10.2 | Evaluated for agonist activity at cloned Melanocortin 3 receptor | 7658432 |
| Melanocortin receptor 5 | EC50 | = | 0.117 | nM | 9.93 | Evaluated for agonist activity at cloned mammalian mouse Melanocortin 5 receptor | 7658432 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 2.0 | nM | 8.7 | Evaluated for agonist at cloned mammalian Melanocortin 1 receptor in frog (Rana ... | 7658432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658432 | 10.1021/jm00018a005 | Melanocyte-stimulating hormone receptor | 4 |
| 7658432 | 10.1021/jm00018a005 | Melanocortin receptor 3 | 1 |
| 7658432 | 10.1021/jm00018a005 | Melanocortin receptor 4 | 1 |
| 7658432 | 10.1021/jm00018a005 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine