CHEMBL4102616
SMILES | CCCN(CCCCOc1ccc2ccnn2c1)[C@@H]1CCc2c(O)cccc2C1 |
InChIKey | JQXMVFBXXAKVDC-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 393.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.07 | 5.07 | 5.07 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.92 | 7.12 | 7.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.66 | 7.83 | 8.77 | ChEMBL |