CHEMBL4474215
SMILES | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |
InChIKey | NKZFUEPYJJNRCM-PLUWKHBFSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 8 |
Rotatable bonds | 9 |
Molecular weight (Da) | 923.4 |
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 |
MC4 | MC4R | Mouse | Melanocortin | A | pKd | 5.9 | 5.9 | 5.9 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKd | 5.8 | 5.8 | 5.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Mouse | Melanocortin | A | pIC50 | 4.61 | 4.61 | 4.61 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 4.71 | 4.71 | 4.71 | ChEMBL |