EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:35854 - valacyclovir
| Formula | C13H20N6O4 |
| Net Charge | 0 |
| Average Mass | 324.341 |
| Monoisotopic Mass | 324.15460 |
| SMILES | CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)nc21 |
| InChI | InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1 |
| InChIKey | HDOVUKNUBWVHOX-QMMMGPOBSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antiviral agent A substance that destroys or inhibits replication of viruses. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. anti-HSV agent An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus). |
| Applications: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| valacyclovir (CHEBI:35854) has functional parent guanine (CHEBI:16235) |
| valacyclovir (CHEBI:35854) has role anti-HIV agent (CHEBI:64946) |
| valacyclovir (CHEBI:35854) has role anti-HSV agent (CHEBI:64952) |
| valacyclovir (CHEBI:35854) has role antibacterial agent (CHEBI:33282) |
| valacyclovir (CHEBI:35854) has role anticoronaviral agent (CHEBI:149553) |
| valacyclovir (CHEBI:35854) has role antineoplastic agent (CHEBI:35610) |
| valacyclovir (CHEBI:35854) has role antipsychotic agent (CHEBI:35476) |
| valacyclovir (CHEBI:35854) has role antiviral agent (CHEBI:22587) |
| valacyclovir (CHEBI:35854) has role antiviral drug (CHEBI:36044) |
| valacyclovir (CHEBI:35854) is a L-valyl ester (CHEBI:35855) |
| valacyclovir (CHEBI:35854) is conjugate base of valacyclovir(1+) (CHEBI:233453) |
| Incoming Relation(s) |
| valacyclovir(1+) (CHEBI:233453) is conjugate acid of valacyclovir (CHEBI:35854) |
| IUPAC Name |
|---|
| 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate |
| Synonyms | Source |
|---|---|
| L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester | ChemIDplus |
| L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine | ChemIDplus |
| Valaciclovir | ChEMBL |
| Valacv | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2798 | DrugCentral |
| LSM-5571 | LINCS |
| Valacyclovir | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8160931 | Beilstein |
| CAS:124832-26-4 | ChemIDplus |
| Citations |
|---|