CHEMBL4061986
SMILES | Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12 |
InChIKey | YRCMSWAPYVIAQO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 417.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.48 | 7.54 | 7.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |