Trade Names: | |
Synonyms: | |
Status: | Approved (1966) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | WIX31ZPX66 |
InChI Key | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C5H5N5S |
Molecular Weight | 167.2 |
AlogP | 0.6 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 83.38 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 11.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | DNA inhibitor | FDA |
Primary Target | |
---|---|
inosine monophosphate dehydrogenase 1 | |
inosine monophosphate dehydrogenase 2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
STE protein kinase group
STE protein kinase STE20 family
STE protein kinase PAKA subfamily
|
- | - | - | - | 31 | |
Enzyme
Oxidoreductase
|
- | 92420 | - | - | - | |
Enzyme
Transferase
|
- | - | 18000 | - | 51 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | - | 21 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 108 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Brain Neoplasms | 3 | D001932 | ClinicalTrials |
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054218 | ClinicalTrials |
Leukemia, Basophilic, Acute | 3 | D015471 | ClinicalTrials |
Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Leukemia | 3 | D007938 | ClinicalTrials |
Lymphoma | 3 | D008223 | ClinicalTrials |
Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
Leukemia, Biphenotypic, Acute | 3 | D015456 | ClinicalTrials |
Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
Leukemia, Monocytic, Acute | 3 | D007948 | ClinicalTrials |
Leukemia, Myelomonocytic, Acute | 3 | D015479 | ClinicalTrials |
Leukemia, Megakaryoblastic, Acute | 3 | D007947 | ClinicalTrials |
Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
Anemia, Refractory | 3 | D000753 | ClinicalTrials |
Anemia, Refractory, with Excess of Blasts | 3 | D000754 | ClinicalTrials |
Brain Neoplasms | 3 | D001932 | ClinicalTrials |
Leukemia, Myelomonocytic, Chronic | 3 | D015477 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Leukemia, Lymphoid | 2 | D007945 | ClinicalTrials |
Hodgkin Disease | 2 | D006689 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Histiocytosis, Langerhans-Cell | 2 | D006646 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 9555 |
ChEMBL | CHEMBL727 |
DrugBank | DB00352 |
DrugCentral | 2632 |
EPA CompTox | DTXSID6023652 |
FDA SRS | WIX31ZPX66 |
Human Metabolome Database | HMDB0014496 |
Guide to Pharmacology | 6845 |
KEGG | C07648 |
PDB | DX4 |
PharmGKB | PA451663 |
PubChem | 91669166 |
SureChEMBL | SCHEMBL3701 |
ZINC | ZINC000006382803 |