Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 4JR41A10VP |
EPA CompTox | DTXSID8045777 |
InChI Key | HZQDCMWJEBCWBR-UUOKFMHZSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C9H13N3O6 | |
Molecular Weight | 259.22 | |
AlogP | -2.7 | |
Hydrogen Bond Acceptor | 8.0 | |
Hydrogen Bond Donor | 5.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 151.06 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 18.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
GMP synthase [glutamine-hydrolyzing] inhibitor | INHIBITOR | PubMed |
Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH) Description: Inosine-5'-monophosphate dehydrogenase 2 Organism : Homo sapiens P12268 ENSG00000178035 |
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Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH) Description: Inosine-5'-monophosphate dehydrogenase 1 Organism : Homo sapiens P20839 ENSG00000106348 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100 |
Resources | Reference | |
---|---|---|
ChEBI | 31858 | |
ChEMBL | CHEMBL245019 | |
DrugBank | DB12617 | |
DrugCentral | 3363 | |
FDA SRS | 4JR41A10VP | |
Human Metabolome Database | HMDB0041934 | |
PDB | MZR | |
PubChem | 104762 | |
SureChEMBL | SCHEMBL7118 | |
ZINC | ZINC000003812887 |