| Synonyms: | |
| Status: | Approved (1995) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| UNII: | MZ1IW7Q79D |
Structure
| InChI Key | HDOVUKNUBWVHOX-QMMMGPOBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H20N6O4 |
| Molecular Weight | 324.34 |
| AlogP | -0.8 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 151.14 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| 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
|
- | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Herpes Labialis | 4 | D006560 | ClinicalTrials |
| Herpes Genitalis | 4 | D006558 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Herpes Simplex | 3 | D006561 | ClinicalTrials |
| Encephalitis | 3 | D004660 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 2 | D029424 | ClinicalTrials |
| Waldenstrom Macroglobulinemia | 2 | D008258 | ClinicalTrials |
| Schizophrenia | 2 | D012559 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 2 | D015451 | ClinicalTrials |
| Cytomegalovirus Infections | 2 | D003586 | ClinicalTrials |
| Hepatitis C, Chronic | 2 | D019698 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Astrocytoma | 2 | D001254 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Stomatitis, Herpetic | 2 | D013283 | ClinicalTrials |
| Glioma | 1 | D005910 | ClinicalTrials |
| Lung Neoplasms | 1 | D008175 | ClinicalTrials |
| Ependymoma | 1 | D004806 | ClinicalTrials |
| Infectious Mononucleosis | 1 | D007244 | ClinicalTrials |
| Glioma | 1 | D005910 | ClinicalTrials |
| Prostatic Neoplasms | 1 | D011471 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 124832-26-4 |
| ChEBI | 35854 |
| ChEMBL | CHEMBL1349 |
| DrugBank | DB00577 |
| DrugCentral | 2798 |
| EPA CompTox | DTXSID1023732 |
| FDA SRS | MZ1IW7Q79D |
| Human Metabolome Database | HMDB0014716 |
| Guide to Pharmacology | 4824 |
| PDB | TXC |
| PharmGKB | PA451839 |
| PubChem | 135398742 |
| SureChEMBL | SCHEMBL28644 |
| ZINC | ZINC000001530713 |
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