KEGG   DRUG: Argatroban
Entry
D00181                      Drug                                   
Name
Argatroban (USP);
Argatroban hydrate (JP18);
Novastan (TN)
Product
ARGATROBAN (Accord Healthcare), ARGATROBAN (Eugia US LLC), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA)
  Generic
ARGATROBAN (Amneal Pharmaceuticals LLC), ARGATROBAN (Caplin Steriles Limited), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Gland Pharma Limited), ARGATROBAN (Gland Pharma Limited), ARGATROBAN (Hospira), ARGATROBAN (Mylan Institutional LLC), ARGATROBAN (Par Pharmaceutical), ARGATROBAN (Par Pharmaceutical), ARGATROBAN (Sagent Pharmaceuticals)
Formula
C23H36N6O5S. H2O
Exact mass
526.2574
Mol weight
526.6494
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
LinkDB
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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