Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00404
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| Drug Name |
Valganciclovir
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| Synonyms |
5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one; Cymeval; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester; L-Valine, ester with ganciclovir; RO1079070/194; RS 79070; Valcyte (TN); Valganciclovir (INN); Valganciclovir (Oral); Valganciclovir [INN:BAN]; [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate
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| Drug Type |
Small molecular drug
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| Indication | Cytomegalovirus infections [ICD11:1D82] | Approved | [1] | |||
| Therapeutic Class |
Antiviral Agents
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C14H22N6O5
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| Canonical SMILES |
CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N
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| InChI |
InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
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| InChIKey |
WPVFJKSGQUFQAP-GKAPJAKFSA-N
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| CAS Number |
CAS 175865-60-8
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| Pharmaceutical Properties | Molecular Weight | 354.36 | Topological Polar Surface Area | 167 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
-1.5
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| PubChem CID | ||||||
| PubChem SID |
104330216
,117576840
,123099361
,126681567
,129616655
,134337936
,135022474
,135611114
,137260967
,141634799
,142044094
,14852135
,14852136
,152035502
,152105972
,15916891
,160647806
,160964847
,162205159
,16292870
,163621140
,164830911
,16867892
,172086164
,178101427
,184546497
,184823771
,223661894
,226416180
,237715327
,251916051
,251917399
,43121054
,46505524
,47205808
,50064546
,50113281
,50647485
,57315041
,615108
,7980872
,91616537
,92251598
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| ChEBI ID |
CHEBI:63635
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | ASCT2 | Transporter Info | Alanine/serine/cysteine/threonine transporter 2 | Substrate | [2] | |
| PEPT1 | Transporter Info | Peptide transporter 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Valganciclovir was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Transport of amino acid esters and the amino-acid-based prodrug valganciclovir by the amino acid transporter ATB(0,+). Pharm Res. 2004 Jul;21(7):1303-10. | |||||
| 3 | Transport of valganciclovir, a ganciclovir prodrug, via peptide transporters PEPT1 and PEPT2. J Pharm Sci. 2000 Jun;89(6):781-9. | |||||
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