Compound Detail
CHEMBL2369484
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C[C@@H]1NC(=O)[C@H](CC(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)NC(=O)[C@@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)N[C@H](C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2369484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IURJLDFCJBKSNA-KDBOLTFKSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1528.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.74
IC50 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 9.68 | 9.68 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 9.59 | 9.305 | 0.3 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.26 | 9.26 | 0.6 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 0.18 | nM | 9.74 | Effective concentration against mouse melanocortin MC4 receptor | 15084118 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.21 | nM | 9.68 | Effective concentration against mouse Melanocortin 1 receptor | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 0.26 | nM | 9.59 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocortin receptor 5 | EC50 | = | 0.55 | nM | 9.26 | Effective concentration against mouse Melanocortin 5 receptor | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 0.96 | nM | 9.02 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocortin receptor 3 | EC50 | = | 0.99 | nM | 9.0 | Effective concentration against mouse Melanocortin 3 receptor | 15084118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 4 | 3 |
| 15084118 | 10.1021/jm0303608 | Melanocyte-stimulating hormone receptor | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 3 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine