Compound Detail
CHEMBL2370695
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C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370695 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WVVYEOWCFKCDKB-JBVIJAINSA-N |
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1310.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.32
EC50 2 meas. best 5.76
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | Kd | 6.32 | 6.11 | 478.6 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.76 | 5.49 | 1730.0 | 2 |
| Melanocortin receptor 3 CHEMBL4774 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 5.5 | 5.41 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Kd | = | 478.63 | nM | 6.32 | Antagonist activity against mouse melanocortin-4 receptor (MC4R) using Schild an... | 11708914 |
| Melanocortin receptor 4 | Kd | = | 1258.93 | nM | 5.9 | Effective concentration against mouse melanocortin MC4 receptor | 15084118 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1730.0 | nM | 5.76 | Effective concentration against mouse Melanocortin 1 receptor | 15084118 |
| Melanocortin receptor 3 | Kd | = | 1995.26 | nM | 5.7 | Effective concentration against mouse Melanocortin 3 receptor | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 4800.0 | nM | 5.32 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5960.0 | nM | 5.22 | Agonist activity against mouse melanocortin-1 receptor | 11708914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 4 | 3 |
| 11708914 | 10.1021/jm010215z | Melanocyte-stimulating hormone receptor | 1 |
| 11708914 | 10.1021/jm010215z | Melanocortin receptor 4 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocyte-stimulating hormone receptor | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 3 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine