Compound Detail
CHEMBL216295
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL216295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQZUWHBMAIRHAI-ZVMIYURWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1040.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 10.06 | 10.06 | 0.1 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.02 | nM | 10.7 | Effective concentration against mouse Melanocortin 1 receptor | 15084118 |
| Melanocortin receptor 4 | EC50 | = | 0.087 | nM | 10.06 | Effective concentration against mouse melanocortin MC4 receptor | 15084118 |
| Melanocortin receptor 3 | EC50 | = | 0.16 | nM | 9.8 | Effective concentration against mouse Melanocortin 3 receptor | 15084118 |
| Melanocortin receptor 5 | EC50 | = | 0.16 | nM | 9.8 | Effective concentration against mouse Melanocortin 5 receptor | 15084118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084118 | 10.1021/jm0303608 | Melanocyte-stimulating hormone receptor | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 3 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 4 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine