CHEMBL1081868
SMILES | Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3cc(F)cc(C(F)(F)F)c3)C2)n1C |
InChIKey | RZEKPECTALABSH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 481.2 |
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 | 7.6 | 8.63 | 9.2 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.5 | 7.7 | 7.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |