CHEMBL301242
SMILES | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O |
InChIKey | WOWYFQWPMWYJNL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 507.1 |
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 | Rat | Dopamine | A | pKi | 8.8 | 8.82 | 8.85 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.82 | 6.94 | 7.05 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.73 | 5.8 | 5.95 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.31 | 8.52 | 8.85 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.05 | 7.3 | 7.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.45 | 7.64 | 7.84 | ChEMBL |