CHEMBL3800633
SMILES | CN(CCCCNC(=O)c1cc2ccccc2o1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1 |
InChIKey | FGHOMVBEDZJTLR-GOSISDBHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 418.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.58 | 6.08 | 6.59 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.83 | 6.32 | 7.81 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 6.94 | 7.33 | 7.71 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.68 | 7.14 | 7.71 | ChEMBL |