Compound Detail
CHEMBL405791
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C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL405791 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZZPIZTRTJLPEKP-FKSJIRLYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1146.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
| Melanocortin receptor 3 CHEMBL4023 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 4.3 | nM | 8.37 | Maximum agonist response for mouse melanocortin 5 receptor (MC5R) | 14998337 |
| Melanocortin receptor 3 | EC50 | = | 5.2 | nM | 8.28 | Maximal agonist response at rat melanocortin 3 receptor (MC3R) | 14998337 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 22.0 | nM | 7.66 | Maximal agonist response of mouse melanocortin 1 receptor (MC1R) | 14998337 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 10000.0 | nM | 5.0 | Effective concentration required for maximum agonist response at melanocortin 1 ... | 14998337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998337 | 10.1021/jm030452x | Melanocyte-stimulating hormone receptor | 3 |
| 14998337 | 10.1021/jm030452x | Melanocortin receptor 3 | 1 |
| 14998337 | 10.1021/jm030452x | Melanocortin receptor 4 | 1 |
| 14998337 | 10.1021/jm030452x | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine