CHEMBL4437740
SMILES | C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 |
InChIKey | JQBHQHNVJCDNEL-XLJIZYSNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 433.2 |
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 | 4.2 | 4.87 | 5.53 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.54 | 6.04 | 6.55 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.15 | 5.12 | 6.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |