Compound Detail
CHEMBL3358537
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C#CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3358537 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DIDFXWFVHNRNMN-PMHRFVFWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1048.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 9.62 | 9.62 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 9.09 | 9.09 | 0.8 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.24 | nM | 9.62 | Activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation b... | 25347033 |
| Melanocortin receptor 4 | EC50 | = | 0.81 | nM | 9.09 | Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation b... | 25347033 |
| Melanocortin receptor 5 | EC50 | = | 1.9 | nM | 8.72 | Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation b... | 25347033 |
| Melanocortin receptor 3 | EC50 | = | 1.92 | nM | 8.72 | Activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation b... | 25347033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25347033 | 10.1021/jm501027w | Melanocortin receptor 5 | 1 |
| 25347033 | 10.1021/jm501027w | Melanocortin receptor 4 | 1 |
| 25347033 | 10.1021/jm501027w | Melanocortin receptor 3 | 1 |
| 25347033 | 10.1021/jm501027w | Melanocyte-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine