CHEMBL1209382
SMILES | CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 |
InChIKey | PIZZMBOKKTYTAJ-MIGGUSAYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 570.3 |
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 | Human | Melanocortin | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.33 | 7.53 | 7.72 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.06 | 7.31 | 7.57 | ChEMBL |