CHEMBL26188
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1 |
InChIKey | JYOIFSSKXBNYGV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 367.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.89 | 7.5 | 8.11 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.89 | 6.97 | 7.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 6.81 | 6.81 | 6.81 | ChEMBL |