Compound Detail
CHEMBL2370965
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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@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)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(N)=O
Basic Information
| ChEMBL ID | CHEMBL2370965 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ARYIUPJTXJSVAP-NYKBICRUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1586.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.28
Ki 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 53.0 | nM | 7.28 | Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay. | 14584947 |
| Melanocortin receptor 3 | EC50 | = | 150.0 | nM | 6.82 | Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assa... | 14584947 |
| Melanocortin receptor 5 | EC50 | = | 210.0 | nM | 6.68 | Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assa... | 14584947 |
| Melanocortin receptor 4 | Ki | = | 1300.0 | nM | 5.89 | Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement. | 14584947 |
| Melanocortin receptor 3 | Ki | = | 1400.0 | nM | 5.85 | Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement... | 14584947 |
| Melanocortin receptor 5 | Ki | = | 3300.0 | nM | 5.48 | Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement... | 14584947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584947 | 10.1021/jm030119t | Melanocortin receptor 3 | 3 |
| 14584947 | 10.1021/jm030119t | Melanocortin receptor 4 | 3 |
| 14584947 | 10.1021/jm030119t | Melanocortin receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine