CHEMBL4864094
SMILES | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N |
InChIKey | NDXXVUAXDBKKNK-PPHWUNPRSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 607.5 |
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 | Mouse | Melanocortin | A | pKd | 5.6 | 5.6 | 5.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 6.51 | 6.51 | 6.51 | ChEMBL |