CHEMBL4864074
SMILES | COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]1CO2 |
InChIKey | WYIBJRJIELMSTK-IXCJQBJRSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 472.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.74 | 7.74 | 7.74 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |