KEGG   COMPOUND: C07140
Entry
C07140                      Compound                               
Name
Ticlopidine
Formula
C14H14ClNS
Exact mass
263.0535
Mol weight
263.7857
Structure
Remark
Same as: D08594
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
     B01AC05 Ticlopidine
      D08594  Ticlopidine (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01808  Thienopyridine
     DG00156  Ticlopidine
      D08594  Ticlopidine
  DG01809  P2Y12 receptor antagonist
   DG01808  Thienopyridine
    DG00156  Ticlopidine
     D08594  Ticlopidine
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00156  Ticlopidine
    D08594  Ticlopidine
  DG02892  CYP2B6 inhibitor
   DG00156  Ticlopidine
    D08594  Ticlopidine
  DG01933  CYP2C19 inhibitor
   DG00156  Ticlopidine
    D08594  Ticlopidine
  DG01645  CYP2D6 inhibitor
   DG00156  Ticlopidine
    D08594  Ticlopidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2RY12
     D08594  Ticlopidine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08594
Other DBs
CAS: 55142-85-3
PubChem: 9349
ChEBI: 9588
PDB-CCD: TIC[PDBj]
NIKKAJI: J11.390E
KCF data

ATOM        17
            1   C8x C    19.0400  -17.2200
            2   C8x C    19.0400  -18.6200
            3   C8x C    20.2524  -19.3200
            4   C8y C    21.4649  -18.6200
            5   C8y C    21.4649  -17.2200
            6   C8x C    20.2524  -16.5200
            7   C1b C    22.6773  -19.3200
            8   N1y N    23.8897  -18.6200
            9   C1x C    23.8897  -17.2200
            10  X   Cl   22.6773  -16.5200
            11  C1x C    25.1022  -19.3200
            12  C8y C    26.3146  -18.6200
            13  C8y C    26.3146  -17.2200
            14  C1x C    25.1022  -16.5200
            15  C8x C    27.6461  -19.0526
            16  C8x C    28.4690  -17.9200
            17  S2x S    27.6461  -16.7874
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 1
            16   12  15 1
            17   15  16 2
            18   16  17 1
            19   13  17 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   MASSBANK (5)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (11)   

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