Compound Detail
CHEMBL4792986
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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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL4792986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNEKRCCXHUFBPL-GLEMDPEOSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1034.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
EC50 1 meas. best 10.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 10.14 | 10.14 | 0.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.75 | 7.75 | 17.8 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.32 | 7.32 | 47.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 0.072 | nM | 10.14 | Agonist activity at human melanocortin receptor 5 | 27690430 |
| Melanocortin receptor 4 | IC50 | = | 17.78 | nM | 7.75 | Antagonist activity at human MC4R expressed in HEK293 cells expressing the GScAM... | 33190475 |
| Melanocortin receptor 4 | IC50 | = | 18.0 | nM | 7.75 | Antagonist activity at human MC4R expressed in HEK293 cells expressing the GScAM... | 33190475 |
| Melanocortin receptor 3 | IC50 | = | 47.86 | nM | 7.32 | Antagonist activity at human MC3R expressed in HEK293 cells expressing the GScAM... | 33190475 |
| Melanocortin receptor 3 | IC50 | = | 48.0 | nM | 7.32 | Antagonist activity at human MC3R expressed in HEK293 cells expressing the GScAM... | 33190475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33190475 | 10.1021/acs.jmedchem.0c01620 | Melanocortin receptor 3 | 2 |
| 33190475 | 10.1021/acs.jmedchem.0c01620 | Melanocortin receptor 4 | 2 |
| 33190475 | 10.1021/acs.jmedchem.0c01620 | Unchecked | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine