Trade Names: | |
Synonyms: | |
Status: | Approved (1967) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | X6Q56QN5QC |
InChI Key | VSNHCAURESNICA-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | CH4N2O2 |
Molecular Weight | 76.05 |
AlogP | -0.96 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 75.35 |
Molecular species | NEUTRAL |
Aromatic Rings | 0.0 |
Heavy Atoms | 5.0 |
Primary Target | |
---|---|
ribonucleotide reductase catalytic subunit M1 | |
ribonucleotide reductase regulatory subunit M2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Lyase
|
- | - | - | 23000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Carcinoma | 3 | D002277 | ClinicalTrials |
Laryngeal Neoplasms | 3 | D007822 | ClinicalTrials |
Paranasal Sinus Neoplasms | 3 | D010255 | ClinicalTrials |
Glioblastoma | 3 | D005909 | ClinicalTrials |
Pharyngeal Neoplasms | 3 | D010610 | ClinicalTrials |
Hemochromatosis | 3 | D006432 | ClinicalTrials |
Primary Myelofibrosis | 3 | D055728 | ClinicalTrials |
Polycythemia Vera | 3 | D011087 | ClinicalTrials |
Stroke | 3 | D020521 | ClinicalTrials |
HIV Infections | 3 | D015658 | ClinicalTrials |
Primary Myelofibrosis | 3 | D055728 | ClinicalTrials |
Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
Thrombocythemia, Essential | 3 | D013920 | ClinicalTrials |
Mouth Neoplasms | 3 | D009062 | ClinicalTrials |
Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
Hematologic Diseases | 3 | D006402 | ClinicalTrials |
Leukemia, Promyelocytic, Acute | 3 | D015473 | ClinicalTrials |
Leukemia | 3 | D007938 | ClinicalTrials |
Fibromatosis, Aggressive | 2 | D018222 | ClinicalTrials |
Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
beta-Thalassemia | 2 | D017086 | ClinicalTrials |
Meningioma | 2 | D008579 | ClinicalTrials |
Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
Lymphoma | 2 | D008223 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Gliosarcoma | 2 | D018316 | ClinicalTrials |
Hemoglobin SC Disease | 2 | D006450 | ClinicalTrials |
beta-Thalassemia | 2 | D017086 | ClinicalTrials |
Muscular Atrophy, Spinal | 2 | D009134 | ClinicalTrials |
Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
Stomach Neoplasms | 2 | D013274 | ClinicalTrials |
Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 2 | D054198 | ClinicalTrials |
Lung Neoplasms | 1 | D008175 | ClinicalTrials |
Hypertension, Pulmonary | 0 | D006976 | ClinicalTrials |
Side effects | Relative Frequency (%) | Labels | |
---|---|---|---|
Investigations Blood uric acid increased | 1.0 | ||
Convulsion | 1.0 | ||
Cardiac disorders Dizziness | 1.0 | ||
Renal and urinary disorders Dysuria | 1.0 | ||
Psychiatric disorders Hallucination | 1.0 | ||
Nervous system disorders Headache | 1.0 | ||
Metabolism and nutrition disorders Hyperuricaemia | 1.0 |
Resources | Reference |
---|---|
CAS NUMBER | 127-07-1 |
ChEBI | 44423 |
ChEMBL | CHEMBL467 |
DrugBank | DB01005 |
DrugCentral | 1399 |
EPA CompTox | DTXSID6025438 |
FDA SRS | X6Q56QN5QC |
Human Metabolome Database | HMDB0015140 |
Guide to Pharmacology | 6822 |
KEGG | C07044 |
PDB | NHY |
PharmGKB | PA449942 |
PubChem | 3657 |
SureChEMBL | SCHEMBL4004 |
ZINC | ZINC000008034120 |