CHEMBL1771114
SMILES | C#Cc1ccc2c(c1)CCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O |
InChIKey | XKAIELUQYYUCFN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 417.2 |
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 | 6.04 | 6.04 | 6.04 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.39 | 8.39 | 8.39 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.62 | 7.84 | 8.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |