compound 9f [PMID: 24412111]
SMILES | CC(CCOc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C |
InChIKey | DFAPMGLBHDJMNX-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 479.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKd | 7.86 | 8.54 | 9.22 | ChEMBL |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |