CHEMBL3318839
SMILES | O=C(CCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
InChIKey | KHEBQTBTKXEQAN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 27 |
Molecular weight (Da) | 972.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.92 | 7.06 | 7.21 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |