CHEMBL2443009
SMILES | COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 |
InChIKey | UQNPMHBOQOCPSK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 375.2 |
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 |
β1 | ADRB1 | Pig | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.25 | 6.29 | 6.34 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |