CHEMBL227853
| SMILES | CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1 |
| InChIKey | CNNZLFXCUQLKOB-BMRADRMJSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 240.1 |
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 |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 8.36 | 8.55 | 8.74 | ChEMBL |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKd | 8.64 | 8.64 | 8.64 | ChEMBL |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 8.46 | 8.62 | 8.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 8.15 | 8.47 | 8.64 | ChEMBL |