| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1975) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01AX04 |
| UNII: | 7GR28W0FJI |
Structure
| InChI Key | FDKXTQMXEQVLRF-ZHACJKMWSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10N6O |
| Molecular Weight | 182.19 |
| AlogP | 0.07 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 99.73 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -0.24 | - | EXP |
| Henry's Law Constant | 1.54E-16 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 1.75E-11 | cm3/molecule-sec | EST |
| Melting Point | 205 | deg C | EXP |
| Water Solubility | 4220 | mg/L | EST |
| Vapor Pressure | 2.20E-08 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor | DailyMed |
| 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
|
- | - | - | - | 90 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanoma | 4 | D008545 | ClinicalTrials |
| Melanoma | 4 | D008545 | ClinicalTrials |
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Hodgkin Disease | 4 | D006689 | ClinicalTrials |
| Sarcoma, Synovial | 3 | D013584 | ClinicalTrials |
| Sarcoma, Alveolar Soft Part | 3 | D018234 | ClinicalTrials |
| Skin Neoplasms | 3 | D012878 | ClinicalTrials |
| Sarcoma | 3 | D012509 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Neuroblastoma | 3 | D009447 | ClinicalTrials |
| Sarcoma | 3 | D012509 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 3 | D016411 | ClinicalTrials |
| Leiomyosarcoma | 3 | D007890 | ClinicalTrials |
| Neuroendocrine Tumors | 2 | D018358 | ClinicalTrials |
| Neuroendocrine Tumors | 2 | D018358 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
| Thyroid Neoplasms | 1 | D013964 | ClinicalTrials |
| Colonic Neoplasms | 1 | D003110 | ClinicalTrials |
| Lung Neoplasms | 1 | D008175 | ClinicalTrials |
| Kidney Neoplasms | 1 | D007680 | ClinicalTrials |
Side Effects from Label
Side Effects (PT)
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Blood and lymphatic system disorders Pancytopenia | 25.0 | ||
| Immune system disorders Anaphylactic shock | 1.0 | ||
| Gastrointestinal disorders Diarrhoea | 1.0 | ||
| General disorders and administration site conditions Flushing | 1.0 | ||
| Nervous system disorders Headache | 1.0 | ||
| Investigations Hepatic enzyme increased | 1.0 | ||
| Nervous system disorders Paraesthesia | 1.0 | ||
| Vascular disorders Vascular occlusion | 0.01 |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4342-03-4 |
| ChEMBL | CHEMBL476 |
| DrugBank | DB00851 |
| DrugCentral | 773 |
| FDA SRS | 7GR28W0FJI |
| Guide to Pharmacology | 9075 |
| KEGG | C06936 |
| PubChem | 135398738 |
| SureChEMBL | SCHEMBL5560 |
| ZINC | ZINC000100019007 |
CONTENTS