monomethyl fumarate
SMILES | COC(=O)/C=C/C(=O)O |
InChIKey | NKHAVTQWNUWKEO-NSCUHMNNSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 130.0 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pIC50 | 6.59 | 6.59 | 6.59 | ChEMBL |