| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1981) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01DC03 |
| UNII: | 50SG953SK6 |
Structure
| InChI Key | NWIBSHFKIJFRCO-WUDYKRTCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H18N4O5 |
| Molecular Weight | 334.33 |
| AlogP | -1.65 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 146.89 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 3 | |
|
Enzyme
Oxidoreductase
|
- | - | - | 25000 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Glaucoma | 4 | D005901 | ClinicalTrials |
| Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
| Anus Neoplasms | 3 | D001005 | ClinicalTrials |
| Uterine Cervical Neoplasms | 3 | D002583 | ClinicalTrials |
| Mesothelioma | 3 | D008654 | ClinicalTrials |
| Anus Neoplasms | 3 | D001005 | ClinicalTrials |
| Carcinoma in Situ | 3 | D002278 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Anus Neoplasms | 3 | D001005 | ClinicalTrials |
| Nasopharyngeal Neoplasms | 3 | D009303 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Carcinoma, Transitional Cell | 3 | D002295 | ClinicalTrials |
| Carcinoma | 3 | D002277 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Lung Neoplasms | 3 | D008175 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Lung Neoplasms | 3 | D008175 | ClinicalTrials |
| Head and Neck Neoplasms | 3 | D006258 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Esophageal Stenosis | 2 | D004940 | ClinicalTrials |
| Pterygium | 2 | D011625 | ClinicalTrials |
| Cholangitis, Sclerosing | 2 | D015209 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Glaucoma, Open-Angle | 2 | D005902 | ClinicalTrials |
| Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
| Glaucoma, Neovascular | 2 | D015355 | ClinicalTrials |
| Corneal Opacity | 2 | D003318 | ClinicalTrials |
| Appendiceal Neoplasms | 2 | D001063 | ClinicalTrials |
| Liver Neoplasms | 2 | D008113 | ClinicalTrials |
| Biliary Tract Neoplasms | 2 | D001661 | ClinicalTrials |
| Keratoconus | 2 | D007640 | ClinicalTrials |
| Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
| Renal Insufficiency, Chronic | 1 | D051436 | ClinicalTrials |
| Myopia | 1 | D009216 | ClinicalTrials |
| Leukemia | 1 | D007938 | ClinicalTrials |
| Urethral Stricture | 1 | D014525 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Cardiac disorders Pulmonary oedema | 65.0 |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50-07-7 |
| ChEBI | 27504 |
| ChEMBL | CHEMBL105 |
| DrugBank | DB00305 |
| DrugCentral | 1819 |
| EPA CompTox | DTXSID2020898 |
| FDA SRS | 50SG953SK6 |
| Human Metabolome Database | HMDB0014450 |
| Guide to Pharmacology | 7089 |
| KEGG | C06681 |
| PharmGKB | PA450524 |
| PubChem | 5746 |
| SureChEMBL | SCHEMBL3760 |
| ZINC | ZINC000030726187 |
CONTENTS