CHEMBL3318849
SMILES | O=C(CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
InChIKey | WUVVNDIQBGLCOQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 0 |
Rotatable bonds | 29 |
Molecular weight (Da) | 1106.5 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.8 | 8.85 | 8.89 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |