CHEMBL2443003
SMILES | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1 |
InChIKey | WHDATORJGMRETC-OUUBHVDSSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 437.2 |
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 |
β1 | ADRB1 | Pig | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.29 | 4.46 | 4.62 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 4.11 | 4.11 | 4.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |