| 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 |