CHEMBL477250
SMILES | COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 |
InChIKey | UIFXLMHCLOJOQC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 393.2 |
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 |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.58 | 8.65 | 8.77 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.68 | 7.91 | 8.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 8.48 | 8.48 | 8.48 | ChEMBL |