CHEMBL212614
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O |
InChIKey | FJSKRKLUQFIKJP-HWFRFQLBSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 6 |
Rotatable bonds | 16 |
Molecular weight (Da) | 736.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 9.4 | 9.4 | 9.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 10.15 | 10.15 | 10.15 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 9.4 | 9.4 | 9.4 | ChEMBL |