CHEMBL216945
SMILES | CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21 |
InChIKey | ZFTCHNBVJNLSJT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 311.2 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.68 | 7.68 | 7.68 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 5.96 | 5.96 | 5.96 | ChEMBL |