CHEMBL1093305
SMILES | CC(=O)NC(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 |
InChIKey | KMNARKQYUZICHM-REUBFRLUSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 599.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.48 | 8.48 | 8.49 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.35 | 8.36 | 8.37 | ChEMBL |