CHEMBL496531
SMILES | O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1 |
InChIKey | DGKURWUVIVQHCD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 470.2 |
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 |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.98 | 9.98 | 9.98 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.98 | 9.98 | 9.98 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.36 | 5.36 | 5.36 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |