CHEMBL517108
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O |
InChIKey | GQPNXZXCXCXNAT-MUEKUWCCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 490.2 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 4.63 | 4.63 | 4.63 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 7.01 | 7.01 | 7.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |