CHEMBL4596221
SMILES | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF |
InChIKey | SEDSBEYYCSPKRY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 13 |
Molecular weight (Da) | 486.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |