CHEMBL4792291
SMILES | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |
InChIKey | NEXJVRPYTRBUSR-IHZBLBIESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 8 |
Rotatable bonds | 17 |
Molecular weight (Da) | 725.4 |
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 |
MC4 | MC4R | Mouse | Melanocortin | A | pKd | 5.7 | 5.7 | 5.7 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 7.79 | 7.79 | 7.79 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 7.18 | 7.18 | 7.18 | ChEMBL |