CHEMBL1079938
SMILES | Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3cccc(C(F)(F)F)c3F)C2)n1C |
InChIKey | IHDSWPOLCNCESB-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 |
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 | 7.2 | 8.4 | 9.1 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.6 | 6.9 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |