Compound Detail
CHEMBL2369961
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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)C2(CCc3ccccc3C2)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 | CHEMBL2369961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDJFVHLGBIRCKY-WWFHXNRISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1522.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.94 | 6.94 | 115.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 115.0 | nM | 6.94 | Effective concentration for mouse Melanocortin-4 receptor | 15828845 |
| Melanocortin receptor 5 | EC50 | = | 440.0 | nM | 6.36 | Effective concentration for mouse Melanocortin-5 receptor | 15828845 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 690.0 | nM | 6.16 | Effective concentration for mouse Melanocortin-1 receptor | 15828845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 3 | 2 |
| 15828845 | 10.1021/jm049010r | Melanocyte-stimulating hormone receptor | 1 |
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 4 | 1 |
| 15828845 | 10.1021/jm049010r | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine