Ro 10-4548
SMILES | COc1cc(ccc1O)N1CCN(CC1)CC(COc1ccccc1NC(=O)C)O |
InChIKey | MXZGRDMOUWOERR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 415.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | D4 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 7.42 | 7.42 | 7.42 | Guide to Pharmacology |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 7.49 | 7.49 | 7.49 | Guide to Pharmacology |
mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 7.44 | 7.47 | 7.5 | ChEMBL |