CHEMBL4846574
SMILES | COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1cccc(C#N)c1)CC2 |
InChIKey | JYKMFGDLZDHDBQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 441.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |