CHEMBL195308
SMILES | O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
InChIKey | YITJJGWDWIIORX-AREMUKBSSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 12 |
Molecular weight (Da) | 603.2 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |