CHEMBL4080762
SMILES | COc1ccccc1N1CCN(CCCCOc2ccn3nccc3c2)CC1 |
InChIKey | WLSSDELGXZDINE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 380.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 7.89 | 7.89 | 7.89 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.75 | 7.8 | 7.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.25 | 7.25 | 7.25 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.72 | 7.05 | 7.38 | ChEMBL |