CHEMBL458758
SMILES | O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1 |
InChIKey | FVTIZFQEARZLMQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 465.3 |
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 | 7.33 | 7.33 | 7.33 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.71 | 6.71 | 6.71 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.33 | 7.33 | 7.33 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |