KEGG   DRUG: Valganciclovir
Entry
D02495                      Drug                                   
Name
Valganciclovir (INN)
Formula
C14H22N6O5
Exact mass
354.1652
Mol weight
354.3617
Structure
Simcomp
Class
Antiviral
 DG01937  Anti-cytomegalovirus agent
Remark
ATC code: J05AB14
Chemical structure group: DG00649
Product (DG00649): D03256<JP/US>
Efficacy
Antiviral, DNA polymerase ihibitor
Comment
Active form of prodrug: Ganciclovir [DR:D00333]
Acyclovir type
Target
HCMV DNA polymerase [KO:K18964]
  Pathway
ko03240  Viral replication
Interaction
Structure map
map07044  Antiviral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AB Nucleosides and nucleotides excl. reverse transcriptase inhibitors
     J05AB14 Valganciclovir
      D02495  Valganciclovir (INN)
Drug groups [BR:br08330]
 Antiviral
  DG01937  Anti-cytomegalovirus agent
   DG00649  Valganciclovir
    D02495  Valganciclovir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   Herpesvirus DNA polymerase inhibitor
    D02495  Valganciclovir (INN)
Prodrugs [br08324.html]
 D02495
Drug groups [BR:br08330]
 Antiviral
  DG01937  Anti-cytomegalovirus agent
   DG00649  Valganciclovir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   Herpesvirus DNA polymerase inhibitor
    DG00649  Valganciclovir
Prodrugs [br08324.html]
 DG00649
Other DBs
CAS: 175865-60-8
PubChem: 47205808
ChEBI: 63635
PDB-CCD: F9E[PDBj]
LigandBox: D02495
KCF data

ATOM        25
            1   C8y C    25.9159  -13.2779
            2   C8y C    25.9037  -11.8862
            3   N4y N    24.6925  -13.8432
            4   N4x N    27.2142  -13.9737
            5   N5x N    24.5569  -11.5468
            6   C8y C    27.0457  -11.1204
            7   C8x C    23.7876  -12.7095
            8   C8y C    28.3556  -13.2037
            9   N5x N    28.3394  -11.7424
            10  O5x O    27.0335   -9.7288
            11  N1a N    29.6498  -13.8297
            12  C1b C    24.6925  -15.2432
            13  O2a O    23.4862  -15.9399
            14  C1c C    22.3078  -15.2597
            15  C1b C    21.1120  -15.9503
            16  C1b C    22.3076  -13.8602
            17  O7a O    19.9247  -15.2650
            18  C7a C    18.7336  -15.9531
            19  C1c C    17.5439  -15.2664
            20  C1c C    16.3540  -15.9538
            21  O1a O    21.1119  -13.1699
            22  O6a O    18.7337  -17.3598
            23  C1a C    15.1637  -15.2667
            24  C1a C    16.3541  -17.3598
            25  N1a N    17.5435  -13.8603
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 2
            10    8  11 1
            11    5   7 2
            12    8   9 2
            13    3  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   15  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  21 1
            23   18  22 2
            24   20  23 1
            25   20  24 1
            26   19  25 1 #Down

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Ontology (4)   
   KEGG BRITE (4)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   PDB-CCD (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (13)   

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