Synonyms: | |
Status: | Approved (1995) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
UNII: | MZ1IW7Q79D |
InChI Key | HDOVUKNUBWVHOX-QMMMGPOBSA-N |
---|---|
Smile | |
InChI |
|
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 |
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
|
- | - | - | - |
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 |
Resources | Reference |
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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 |