CHEMBL14642
SMILES | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 |
InChIKey | GULVVTHHUIIMRL-WUFINQPMSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 559.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.36 | 5.36 | 5.36 | ChEMBL |