CHEMBL1739811
SMILES | O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1 |
InChIKey | SNGXJMCNRWUDKR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 16 |
Molecular weight (Da) | 505.3 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |