| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| UNII: | X4HES1O11F |
Structure
| InChI Key | MKUXAQIIEYXACX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N5O3 |
| Molecular Weight | 225.21 |
| AlogP | -0.92 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 119.31 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Human herpesvirus 1 DNA polymerase inhibitor | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | 12589 | 91000 | 37 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 2-103 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cytomegalovirus Infections | 3 | D003586 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
Related Entries
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59277-89-3 |
| ChEBI | 2453 |
| ChEMBL | CHEMBL184 |
| DrugBank | DB00787 |
| DrugCentral | 85 |
| EPA CompTox | DTXSID1022556 |
| FDA SRS | X4HES1O11F |
| Human Metabolome Database | HMDB0014925 |
| Guide to Pharmacology | 4829 |
| KEGG | C06810 |
| PDB | AC2 |
| PharmGKB | PA448045 |
| PubChem | 135398513 |
| SureChEMBL | SCHEMBL3175 |
| ZINC | ZINC000001530555 |
CONTENTS