Compound Detail
CHEMBL429236
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CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL429236 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PYBMRTRMVZCBQQ-KZTMAIBYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1309.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 10.68 | 10.68 | 0.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 9.96 | 9.96 | 0.1 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 9.49 | 9.49 | 0.3 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.021 | nM | 10.68 | Functional activity at the mouse melanocortin 1 receptor | 11405661 |
| Melanocortin receptor 3 | EC50 | = | 0.11 | nM | 9.96 | Functional activity at the mouse melanocortin 3 receptor | 11405661 |
| Melanocortin receptor 4 | EC50 | = | 0.32 | nM | 9.49 | Functional activity at the mouse melanocortin 4 receptor | 11405661 |
| Melanocortin receptor 5 | EC50 | = | 0.46 | nM | 9.34 | Functional activity at the mouse melanocortin 5 receptor | 11405661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405661 | 10.1021/jm010061n | Melanocyte-stimulating hormone receptor | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 3 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 4 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine