CHEMBL1803023
SMILES | COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1 |
InChIKey | ZMVCPWQWTYDCHV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 0 |
Rotatable bonds | 25 |
Molecular weight (Da) | 928.5 |
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 | 8.27 | 8.27 | 8.27 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.6 | 7.7 | 7.8 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |