CHEMBL379531
SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
InChIKey | IYMUEULNOLBKRK-RRGQHJHPSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 10 |
Rotatable bonds | 10 |
Molecular weight (Da) | 711.4 |
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 | Human | Melanocortin | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |