Compound Detail
CHEMBL4072387
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CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=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 | CHEMBL4072387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZVZJDCUPVOTTP-JGNIMXBXSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1650.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.15
IC50 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 8.17 | 8.17 | 6.7 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 8.09 | 8.09 | 8.1 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocyte-stimulating hormone receptor | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 3 | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 4 | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 5 | 4 |
Data from ChEMBL 36 via Core Engine