Compound Detail
CHEMBL2369964
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2369964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKIVIEKNSBJNLA-AQOKNKHISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1497.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 9.17 | 9.17 | 0.7 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.02 | 9.02 | 0.9 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.2 | nM | 9.7 | Effective concentration for mouse Melanocortin-1 receptor | 15828845 |
| Melanocortin receptor 4 | EC50 | = | 0.67 | nM | 9.17 | Effective concentration for mouse Melanocortin-4 receptor | 15828845 |
| Melanocortin receptor 5 | EC50 | = | 0.95 | nM | 9.02 | Effective concentration for mouse Melanocortin-5 receptor | 15828845 |
| Melanocortin receptor 3 | EC50 | = | 6.5 | nM | 8.19 | Effective concentration for mouse Melanocortin-3 receptor | 15828845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828845 | 10.1021/jm049010r | Melanocyte-stimulating hormone receptor | 1 |
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 3 | 1 |
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 4 | 1 |
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 5 | 1 |
| 15828845 | 10.1021/jm049010r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine