Compound Detail
CHEMBL438402
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CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)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(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL438402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGBVAARMQYYITG-DESRROFGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1623.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 9.19 | 9.19 | 0.6 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | EC50 | = | 0.56 | nM | 9.25 | Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells asse... | 33886285 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.64 | nM | 9.19 | Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse... | 33886285 |
| Melanocortin receptor 5 | EC50 | = | 0.7 | nM | 9.15 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 33886285 |
| Melanocortin receptor 4 | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells asse... | 33886285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32602722 | 10.1021/acs.jmedchem.0c00485 | Melanocyte-stimulating hormone receptor | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocyte-stimulating hormone receptor | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 3 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 4 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine