CHEMBL3139046
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1 |
InChIKey | PWXSXDYNNANOIK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 17 |
Molecular weight (Da) | 556.3 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |