Compound Detail
CHEMBL5077811
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CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5077811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCISEPWWFQDZAP-ZTYVOHGWSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1074.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.26
Ki 3 meas. best 7.25
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.26 | 8.26 | 5.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 7.25 | 7.25 | 56.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.2 | 6.32 | 63.1 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.69 | 5.69 | 2041.7 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 4 | 3 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocyte-stimulating hormone receptor | 2 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 3 | 2 |
| 34197114 | 10.1021/acs.jmedchem.1c00095 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine