CHEMBL309807
SMILES | CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(=N)N)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 |
InChIKey | WFOFJUYRBUEJBI-ARDYHYPTSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 14 |
Molecular weight (Da) | 601.4 |
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 |
MC1 | MSHR | Mouse | Melanocortin | A | pIC50 | 7.29 | 7.29 | 7.29 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 5.46 | 6.62 | 8.11 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.17 | 7.29 | 8.4 | ChEMBL |