CHEMBL3597592
SMILES | O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccc2)CC1 |
InChIKey | YATZGLPZEVHKJR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 319.1 |
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 |
mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pKi | 8.32 | 8.32 | 8.32 | ChEMBL |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pIC50 | 7.41 | 7.41 | 7.41 | ChEMBL |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 8.55 | 8.55 | 8.55 | ChEMBL |