CHEMBL3358544
| SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O |
| InChIKey | KRBJCNKRJSCANK-PMHRFVFWSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 17 |
| Molecular weight (Da) | 1047.6 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.47 | 9.47 | 9.47 | ChEMBL |
| MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 9.96 | 9.96 | 9.96 | ChEMBL |
| MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 9.54 | 9.54 | 9.54 | ChEMBL |
| MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 9.66 | 9.66 | 9.66 | ChEMBL |