CHEMBL3287324
SMILES | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O |
InChIKey | LVZVUZUDRDMDPR-LVCGBWMPSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 16 |
Molecular weight (Da) | 839.2 |
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 |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 4.71 | 8.01 | 9.59 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 8.57 | 8.57 | 8.57 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 8.57 | 8.57 | 8.57 | ChEMBL |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |