CHEMBL1258605
SMILES | COc1ccc2c(c1)C1(CCC2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1 |
InChIKey | HURBEFKRLRSDKC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 453.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |