CHEMBL3318833
SMILES | O=C(CCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
InChIKey | ODDQSYJSQXYQTO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 19 |
Molecular weight (Da) | 860.3 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.52 | 8.58 | 8.64 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |