CHEMBL4869122
SMILES | O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc([N+](=O)[O-])cc1 |
InChIKey | CQNWLYUGTVHPNE-TZIWHRDSSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 411.2 |
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 | 7.47 | 7.47 | 7.47 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |