CHEMBL4246185
SMILES | CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(C#Cc4csc(C)n4)c3)nn2)cc1)C1CCc2c(O)cccc2C1 |
InChIKey | FOVUVYKDWJUHPC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 3 |
Rotatable bonds | 30 |
Molecular weight (Da) | 957.6 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.77 | 6.93 | 7.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |