| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 4JR41A10VP |
| EPA CompTox | DTXSID8045777 |
Structure
| InChI Key | HZQDCMWJEBCWBR-UUOKFMHZSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| Mechanism of Action | Action | Reference |
|---|---|---|
| GMP synthase [glutamine-hydrolyzing] inhibitor | INHIBITOR | PubMed |
| 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
|
- | - | - | - | 100.42-113.44 |
Cricetulus griseus
Target Conservation
|
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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Related Entries
Cross References
| 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 |
CONTENTS
