CHEMBL3358540
SMILES | CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |
InChIKey | NQOHSNNZYWQEMU-ZRBRQIMBSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 13 |
Rotatable bonds | 34 |
Molecular weight (Da) | 1051.6 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | 9.89 | 9.89 | 9.89 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 9.28 | 9.28 | 9.28 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 8.88 | 8.88 | 8.88 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 9.85 | 9.85 | 9.85 | ChEMBL |