Compound Detail
CHEMBL5414451
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C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5414451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSZDAFBCWHVROA-BNDGGGGKSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1149.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.87
Ki 4 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 10.22 | 10.205 | 0.1 | 2 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.87 | 9.87 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 7.78 | 7.78 | 16.6 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 7.2 | 7.2 | 63.1 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 6.76 | 6.76 | 173.8 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 6.53 | 6.53 | 295.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 4 | 3 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocyte-stimulating hormone receptor | 2 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 3 | 2 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine