CHEMBL245229
SMILES | COc1ccc(Oc2ccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)cc2)cc1 |
InChIKey | RBVKMXSYCQGAEL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 458.3 |
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 |
MCH1 | MCHR1 | Rat | Melanin-concentrating hormone | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MCH1 | MCHR1 | Rat | Melanin-concentrating hormone | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |