KEGG   DRUG: Remdesivir
Entry
D11472                      Drug                                   
Name
Remdesivir (JAN/USAN);
Veklury (TN)
Product
VEKLURY (Gilead Sciences)
Formula
C27H35N6O8P
Exact mass
602.2254
Mol weight
602.576
Structure
Class
Antiviral
 DG03174  Anti-SARS-CoV-2 agent
Transporter substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
Remark
Therapeutic category: 6250
ATC code: J05AB16
Product: D11472<JP/US>
Efficacy
Antiviral, RNA polymerase inhibitor
  Disease
Coronavirus disease 2019 [DS:H02398]
Comment
Active form of prodrug: GS-441524 [CPD:C22275]
nucleoside analog
Treatment of viral infections (broad-spectrum)
Target
SARS coronavirus replicase [KO:K24149]
  Pathway
ko03230  Viral genome structure
ko05171  Coronavirus disease - COVID-19
Metabolism
Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
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
     J05AB16 Remdesivir
      D11472  Remdesivir (JAN/USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D11472  Remdesivir (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03174  Anti-SARS-CoV-2 agent
   D11472  Remdesivir
 Transporter substrate
  DG02856  SLCO1B1 substrate
   D11472  Remdesivir
  DG02932  SLCO1B3 substrate
   D11472  Remdesivir
Drug classes [BR:br08332]
 Antiviral
  DG03174  Anti-SARS-CoV-2 agent
   D11472  Remdesivir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   Other inhibitor
    D11472  Remdesivir (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11472
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11472
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11472
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11472
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D11472
Prodrugs [br08324.html]
 D11472
Other DBs
CAS: 1809249-37-3
PubChem: 384585448
ChEBI: 145994
KCF data

ATOM        42
            1   C8y C    29.6800  -15.4000
            2   N4y N    31.0800  -14.9800
            3   C1z C    28.3500  -15.8200
            4   C8x C    28.9100  -14.2100
            5   C8y C    31.0800  -13.5800
            6   N5x N    32.3400  -15.7500
            7   O2x O    27.1600  -14.9800
            8   C1y C    27.8600  -17.2200
            9   C8x C    29.7500  -13.0900
            10  C8y C    32.3400  -12.9500
            11  C8x C    33.5300  -15.1200
            12  C1y C    26.0400  -15.8200
            13  C1y C    26.4600  -17.2200
            14  O1a O    28.7700  -18.3400
            15  N5x N    33.5300  -13.7200
            16  N1a N    32.3400  -11.5500
            17  O1a O    25.6900  -18.3400
            18  C3b C    29.5400  -16.5200
            19  N3a N    30.8000  -17.2200
            20  C1b C    24.8500  -15.1200
            21  O2b O    23.6600  -15.8200
            22  P1b P    22.4419  -15.1299
            23  N1b N    21.2295  -15.8299
            24  C1c C    19.9982  -15.1190
            25  C7a C    18.8018  -15.8099
            26  O2b O    22.4360  -13.7204
            27  O3b O    23.6544  -14.4299
            28  C8y C    23.6709  -13.0003
            29  C8x C    24.8864  -13.6952
            30  C8x C    26.0958  -12.9899
            31  C8x C    26.0898  -11.5899
            32  C8x C    24.8742  -10.8951
            33  C8x C    23.6648  -11.6003
            34  C1a C    19.9981  -13.7202
            35  O7a O    17.6149  -15.1246
            36  O6a O    18.8016  -17.2197
            37  C1b C    16.4234  -15.8127
            38  C1c C    15.2341  -15.1261
            39  C1b C    14.0438  -15.8135
            40  C1b C    15.2338  -13.7202
            41  C1a C    14.0410  -13.0315
            42  C1a C    12.8538  -15.1265
BOND        45
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   13  17 1 #Down
            17    5   9 2
            18   11  15 1
            19   12  13 1
            20    3  18 1 #Down
            21   18  19 3
            22   20  21 1
            23   12  20 1 #Up
            24   21  22 1
            25   22  23 1 #Down
            26   23  24 1
            27   24  25 1
            28   22  26 1 #Up
            29   22  27 2
            30   26  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   24  34 1 #Down
            38   25  35 1
            39   25  36 2
            40   35  37 1
            41   37  38 1
            42   38  39 1
            43   38  40 1
            44   40  41 1
            45   39  42 1

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Ontology (11)   
   KEGG BRITE (11)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (3)   
   KEGG DGROUP (3)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (18)   

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