KEGG   DRUG: Argatroban
Entry
D00181                      Drug                                   
Name
Argatroban (USP);
Argatroban hydrate (JP18);
Novastan (TN)
Product
  Generic
Formula
C23H36N6O5S. H2O
Exact mass
526.2574
Mol weight
526.65
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01511  Thrombin inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2190
ATC code: B01AE03
Chemical structure group: DG00163
Product (DG00163): D00181<JP/US>
Efficacy
Anticoagulant, Thrombin inhibitor
Comment
Direct thrombin inhibitor
Target
F2 [HSA:2147] [KO:K01313]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AE Direct thrombin inhibitors
     B01AE03 Argatroban
      D00181  Argatroban (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00181  Argatroban (USP); Argatroban hydrate (JP18)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00163  Argatroban
     D00181  Argatroban
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00163  Argatroban
     D00181  Argatroban
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    F2
     D00181  Argatroban (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00181  Argatroban hydrate
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00181
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00181
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00181
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00163  Argatroban
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00163  Argatroban
Other DBs
CAS: 141396-28-3
PubChem: 7847249
LigandBox: D00181
KCF data

ATOM        36
            1   C8y C    18.1598  -18.5916
            2   C8y C    16.9465  -17.8857
            3   C8y C    18.1539  -19.9972
            4   N1x N    19.3788  -17.8917
            5   S4a S    16.9525  -16.4919
            6   C8x C    15.7334  -18.5916
            7   C8x C    16.9465  -20.6912
            8   C1x C    19.3672  -20.6971
            9   C1x C    20.5919  -18.6033
            10  N1b N    18.1598  -15.7977
            11  O3c O    15.7451  -15.7919
            12  O3c O    18.2299  -17.2727
            13  C8x C    15.7334  -19.9972
            14  C1y C    20.5862  -20.0088
            15  C1c C    18.1598  -14.4037
            16  C1a C    21.7877  -20.7088
            17  C5a C    19.3729  -13.7038
            18  C1b C    16.9525  -13.7038
            19  N1y N    20.5803  -14.4037
            20  O5a O    19.3729  -12.3100
            21  C1b C    15.7451  -14.3980
            22  C1y C    21.7819  -13.7038
            23  C1x C    20.5687  -15.7919
            24  C1b C    14.5378  -13.6981
            25  C1x C    22.9893  -14.4037
            26  C6a C    21.7819  -12.3100
            27  C1x C    21.7760  -16.4919
            28  N1b N    13.3305  -14.3980
            29  C1y C    22.9893  -15.7977
            30  O6a O    22.9893  -11.6101
            31  O6a O    20.5687  -11.6101
            32  C2c C    12.1230  -13.6981
            33  C1a C    24.1964  -16.4976
            34  N1a N    10.9099  -14.3920
            35  N2a N    12.1230  -12.2984
            36  O0  O    26.4235  -19.0021
BOND        37
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    5  12 2
            12    6  13 1
            13    8  14 1
            14   15  10 1 #Up
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   19  23 1
            23   21  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 2
            31   28  32 1
            32   29  33 1 #Down
            33   32  34 1
            34   32  35 2
            35    7  13 2
            36    9  14 1
            37   27  29 1

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