CHEMBL4244406
| SMILES | Cc1nc(C#Cc2cncc(OCC(=O)NCCCCCN(C)CCCCCCCCN=[N+]=[N-])c2)cs1 |
| InChIKey | VUKQZDURBZZIME-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 18 |
| Molecular weight (Da) | 525.3 |
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 |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |