CHEMBL195057
SMILES | O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1 |
InChIKey | HQPJIWFXJJJLTM-OWOJBTEDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 419.1 |
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 | 8.76 | 9.19 | 9.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.18 | 7.63 | 7.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.08 | 8.08 | 8.08 | ChEMBL |