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 |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 8JHN |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pKi | 6.74 | 6.74 | 6.74 | Guide to Pharmacology |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pEC50 | 5.03 | 5.03 | 5.03 | Guide to Pharmacology |