CHEMBL5222201
SMILES | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccn2)CC1 |
InChIKey | UWUBDOPGNONVDN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 350.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.65 | 8.65 | 8.65 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.91 | 7.99 | 8.07 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.17 | 7.17 | 7.17 | ChEMBL |