CHEMBL154508
SMILES | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1 |
InChIKey | DTWIWINSMXUYHB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 455.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.1 | 8.54 | 8.97 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.28 | 5.61 | 5.94 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |