Argatroban

Entry

D00181                      Drug

Name

Argatroban (USP);
Argatroban hydrate (JP18);
Novastan (TN)

Product

ARGATROBAN (Accord Healthcare), ARGATROBAN (AuroMedics Pharma LLC), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Novartis Pharmaceuticals Corporation)

Generic

ARGATROBAN (Amneal Pharmaceuticals LLC), ARGATROBAN (Caplin Steriles Limited), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Gland Pharma Limited), ARGATROBAN (Hospira), ARGATROBAN (Mylan Institutional LLC), 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

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