CHEMBL3287322
SMILES | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O |
InChIKey | IRYMLYQXVLFVAF-NUMJAJDCSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 14 |
Molecular weight (Da) | 820.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 8.54 | 8.54 | 8.54 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.53 | 7.93 | 9.62 | ChEMBL |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.08 | 9.08 | 9.08 | ChEMBL |