CHEMBL461236
SMILES | O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1 |
InChIKey | UPKZNVQHJZHSGN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 422.2 |
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 | 5.26 | 5.26 | 5.26 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.83 | 7.83 | 7.83 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.57 | 9.57 | 9.57 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.83 | 7.83 | 7.83 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.26 | 5.26 | 5.26 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |