CHEMBL2370964
| SMILES | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |
| InChIKey | WSDYWWDQJYPQDS-KQWISETMSA-N |
Chemical properties
| Hydrogen bond acceptors | None |
| Hydrogen bond donors | None |
| Rotatable bonds | None |
| Molecular weight (Da) |
Drug properties
| Molecular type | Protein |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 9.09 | 9.09 | 9.09 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.52 | 9.37 | 9.8 | ChEMBL |
| MC1 | MSHR | Human | Melanocortin | A | pIC50 | 9.13 | 9.59 | 10.13 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 8.46 | 8.46 | 8.46 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pEC50 | 8.42 | 8.42 | 8.42 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.52 | 7.65 | 8.21 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pIC50 | 7.97 | 8.08 | 8.3 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.2 | 7.15 | 7.62 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.22 | 8.35 | 8.41 | ChEMBL |