KEGG   DRUG: Sofosbuvir
Entry
D10366                      Drug                                   
Name
Sofosbuvir (JAN/USAN/INN);
Sovaldi (TN)
  Abbr
SOF
Product
SOVALDI (Gilead Sciences)
Formula
C22H29FN3O9P
Exact mass
529.1625
Mol weight
529.4525
Structure
Simcomp
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02000  HCV NS5B polymerase inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
ATC code: J05AP08
Product: D10366<US>
Product (mixture): D10578<JP/US> D10827<JP/US> D10900<US>
Efficacy
Antiviral, NS5B polymerase inhibitor
  Disease
Chronic hepatitis C virus infection [DS:H00413]
Target
HCV NS5B polymerase [KO:K22472]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP08 Sofosbuvir
      D10366  Sofosbuvir (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis C (HCV) Agents
   Sofosbuvir
    D10366  Sofosbuvir (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    D10366  Sofosbuvir
 Transporter substrate
  DG01665  ABCB1 substrate
   D10366  Sofosbuvir
  DG01913  ABCG2 substrate
   D10366  Sofosbuvir
Drug classes [BR:br08332]
 Antiviral
  DG03198  Anti-HCV agent
   D10366  Sofosbuvir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D10366  Sofosbuvir (JAN/USAN/INN) <US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D10366  Sofosbuvir (JAN/USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10366
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10366
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10366
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10366
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D10366
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10366
Other DBs
CAS: 1190307-88-0
PubChem: 172232459
ChEBI: 85083
PDB-CCD: WG6[PDBj]
KCF data

ATOM        36
            1   C1a C     9.2183  -16.9828
            2   C1c C    10.4121  -17.6720
            3   O7a O    11.6059  -16.9828
            4   C7a C    12.7996  -17.6720
            5   C1c C    13.9933  -16.9828
            6   N1b N    15.1872  -17.6720
            7   C1a C    10.4121  -19.0502
            8   O6a O    12.7996  -19.0504
            9   C1a C    13.9933  -15.6045
            10  C1y C    20.6947  -17.5762
            11  C1y C    21.1222  -18.9240
            12  C1z C    22.5361  -18.9339
            13  C1y C    22.9826  -17.5921
            14  O2x O    21.8444  -16.7531
            15  P1b P    16.9323  -16.9828
            16  O3b O    15.7425  -16.2958
            17  O2b O    18.1300  -16.2913
            18  C8y C    18.1320  -14.9154
            19  C8x C    19.3096  -14.2375
            20  C8x C    19.3114  -12.8591
            21  C8x C    18.1186  -12.1683
            22  C8x C    16.9410  -12.8461
            23  C8x C    16.9392  -14.2245
            24  O2b O    18.3120  -17.6964
            25  C1b C    19.4866  -16.9441
            26  O1a O    20.3166  -20.0168
            27  C1a C    23.8864  -19.4877
            28  X   F    22.1827  -20.1470
            29  N4y N    24.2889  -17.1603
            30  C8x C    25.4710  -17.8949
            31  C8x C    26.6865  -17.2447
            32  C8y C    26.7312  -15.8671
            33  N4x N    25.5490  -15.1324
            34  C8y C    24.3335  -15.7825
            35  O5x O    27.9599  -15.2099
            36  O5x O    23.1649  -15.0563
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 1
            7     4   8 2
            8     5   9 1 #Down
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   10  14 1
            14   15  16 2
            15   15  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   15  24 1 #Down
            24   24  25 1
            25   10  25 1 #Up
            26   11  26 1 #Down
            27   12  27 1 #Up
            28   12  28 1 #Down
            29   13  29 1 #Up
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   29  34 1
            36   32  35 2
            37   34  36 2
            38   15   6 1 #Up

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Ontology (12)   
   KEGG BRITE (12)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (3)   
   KEGG DGROUP (3)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
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