KEGG   DRUG: Tirofiban
Entry
D08607                      Drug                                   
Name
Tirofiban (INN);
Agrastat (TN)
Formula
C22H36N2O5S
Exact mass
440.2345
Mol weight
440.60
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01811  Fibrinogen receptor antagonist
Remark
Same as: C07965
ATC code: B01AC17
Chemical structure group: DG00159
Product (DG00159): D01029<US>
Efficacy
Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Target
ITGA2B/ITGB3 [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
hsa04611  Platelet activation
hsa04640  Hematopoietic cell lineage
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
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC17 Tirofiban
      D08607  Tirofiban (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00159  Tirofiban
     D08607  Tirofiban
  DG01811  Fibrinogen receptor antagonist
   DG00159  Tirofiban
    D08607  Tirofiban
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGA2B/ITGB3
     D08607  Tirofiban (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00159  Tirofiban
  DG01811  Fibrinogen receptor antagonist
   DG00159  Tirofiban
Other DBs
CAS: 144494-65-5
PubChem: 96025291
ChEBI: 9605
PDB-CCD: AGG[PDBj]
LigandBox: D08607
LinkDB
KCF data

ATOM        30
            1   C8y C    16.8671  -15.7324
            2   C1b C    15.6736  -15.0303
            3   C8x C    16.8673  -17.1366
            4   C8x C    18.0607  -15.0303
            5   C1c C    14.4098  -15.7324
            6   C8x C    18.0607  -17.8387
            7   C8x C    19.2543  -15.7324
            8   N1b N    14.4098  -17.1366
            9   C6a C    13.2162  -15.0303
            10  C8y C    19.2543  -17.1366
            11  S4a S    13.2864  -17.9089
            12  O6a O    12.0227  -15.7324
            13  O6a O    13.2162  -13.6262
            14  O2a O    20.5180  -17.8387
            15  C1b C    12.0227  -17.1366
            16  O3c O    14.4800  -18.7515
            17  O3c O    12.1631  -18.7515
            18  C1b C    21.7116  -17.1366
            19  C1b C    10.8291  -17.8387
            20  C1b C    22.9052  -17.8387
            21  C1b C     9.5653  -17.1366
            22  C1b C    24.0987  -17.1366
            23  C1a C     8.3717  -17.8387
            24  C1b C    25.3625  -17.8387
            25  C1y C    26.5561  -17.1366
            26  C1x C    27.7496  -17.8387
            27  C1x C    26.5561  -15.7324
            28  C1x C    28.9432  -17.1366
            29  C1x C    27.7496  -15.0303
            30  N1x N    28.9432  -15.7324
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1 #Down
            8     5   9 1
            9     6  10 2
            10    8  11 1
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   11  16 2
            16   11  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30    7  10 1
            31   29  30 1

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KEGG   DRUG: Tirofiban hydrochloride
Entry
D01029                      Drug                                   
Name
Tirofiban hydrochloride (USAN);
Tirofiban hydrochloride hydrate;
Aggrastat (TN)
Product
AGGRASTAT (Medicure International), AGGRASTAT (Medicure International)
  Generic
TIROFIBAN (Eugia US LLC), TIROFIBAN HYDROCHLORIDE (Gland Pharma Limited), TIROFIBAN HYDROCHLORIDE (Nexus Pharmaceuticals LLC), TIROFIBAN HYDROCHLORIDE (Sagent Pharmaceuticals)
Formula
C22H36N2O5S. HCl. H2O
Exact mass
494.2217
Mol weight
495.07
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01811  Fibrinogen receptor antagonist
Remark
ATC code: B01AC17
Chemical structure group: DG00159
Product (DG00159): D01029<US>
Efficacy
Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Comment
Treatment of acute coronary syndrome
Target
ITGA2B/ITGB3 [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
hsa04611  Platelet activation
hsa04640  Hematopoietic cell lineage
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
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC17 Tirofiban
      D01029  Tirofiban hydrochloride (USAN) <US>
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00159  Tirofiban
     D01029  Tirofiban hydrochloride
  DG01811  Fibrinogen receptor antagonist
   DG00159  Tirofiban
    D01029  Tirofiban hydrochloride
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGA2B/ITGB3
     D01029  Tirofiban hydrochloride (USAN) <US>
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00159  Tirofiban
  DG01811  Fibrinogen receptor antagonist
   DG00159  Tirofiban
Other DBs
CAS: 150915-40-5
PubChem: 7848092
ChEBI: 9606
LigandBox: D01029
LinkDB
KCF data

ATOM        32
            1   C8y C    20.3341  -17.4804
            2   C1b C    19.1266  -16.7827
            3   C8x C    20.3273  -18.8690
            4   C8x C    21.5348  -16.7759
            5   C1c C    17.9257  -17.4804
            6   C8x C    21.5348  -19.5666
            7   C8x C    22.7357  -17.4737
            8   N1b N    17.9257  -18.8690
            9   C6a C    16.7116  -16.7827
            10  C8y C    22.7357  -18.8690
            11  S4a S    16.7853  -19.6405
            12  O6a O    15.5041  -17.4804
            13  O6a O    16.7116  -15.3873
            14  O2a O    23.9430  -19.5666
            15  C1b C    15.5041  -18.8690
            16  O3c O    17.9794  -20.5125
            17  O3c O    15.6517  -20.5058
            18  C1b C    25.1573  -18.8690
            19  C1b C    14.3034  -19.5734
            20  C1b C    26.3580  -19.5666
            21  C1b C    13.0960  -18.8690
            22  C1b C    27.5655  -18.8690
            23  C1a C    11.8884  -19.5734
            24  C1b C    28.7731  -19.5666
            25  C1y C    29.9738  -18.8690
            26  C1x C    31.1746  -19.5666
            27  C1x C    29.9671  -17.4737
            28  C1x C    32.3821  -18.8690
            29  C1x C    31.1746  -16.7759
            30  N1x N    32.3821  -17.4737
            31  X   Cl   28.6047  -21.4468
            32  O0  O    32.4098  -21.3266
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1 #Down
            8     5   9 1
            9     6  10 2
            10    8  11 1
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   11  16 2
            16   11  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30    7  10 1
            31   29  30 1

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