KEGG   DRUG: Sarpogrelate
Entry
D08508                      Drug                                   

Name
Sarpogrelate (INN)
Formula
C24H31NO6
Exact mass
429.2151
Mol weight
429.506
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02919  CYP2B6 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
Chemical structure group: DG01333
Product (DG01333): D01624<JP>
Efficacy
Anticoagulant, Platelet aggregation inhibitor, Serotonin 5-HT2 receptor antagonist
Target
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2B6 [HSA:1555], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07049  Antithrombosis agents
map07211  Serotonin receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D08508  Sarpogrelate (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08508
Other DBs
CAS: 125926-17-2
PubChem: 96025193
ChEMBL: CHEMBL52939
LigandBox: D08508
NIKKAJI: J379.799F
LinkDB
KCF data

ATOM        31
            1   C8y C    19.9500  -17.9900
            2   O2a O    21.1400  -17.2900
            3   C8x C    18.7600  -17.2900
            4   C8y C    19.9500  -19.3900
            5   C1b C    22.3300  -17.9900
            6   C8x C    17.5000  -17.9900
            7   C8x C    18.7600  -20.0900
            8   C1c C    23.5900  -17.2900
            9   C8x C    17.5000  -19.3900
            10  O7a O    24.7800  -17.9900
            11  C1b C    23.5900  -15.8900
            12  C7a C    25.9700  -17.2900
            13  C1b C    27.2300  -17.9900
            14  C1b C    28.4200  -17.2900
            15  C6a C    29.6100  -17.9900
            16  O6a O    30.8700  -17.2900
            17  O6a O    25.9700  -15.8900
            18  O6a O    29.6100  -19.3900
            19  C1b C    21.1400  -20.0900
            20  C1b C    22.3300  -19.3900
            21  C8y C    23.5900  -20.0200
            22  C8x C    23.5900  -21.4200
            23  C8x C    24.7800  -22.1200
            24  C8x C    25.9700  -21.4200
            25  C8y C    25.9700  -20.0200
            26  C8x C    24.7800  -19.3200
            27  O2a O    27.2300  -19.3200
            28  C1a C    28.4200  -20.0200
            29  N1c N    22.3300  -15.1900
            30  C1a C    22.3300  -13.7900
            31  C1a C    21.1400  -15.8900
BOND        32
            1    15  16 1
            2     7   9 1
            3    12  17 2
            4    15  18 2
            5     1   2 1
            6     4  19 1
            7     1   3 2
            8    19  20 1
            9     1   4 1
            10   20  21 1
            11    2   5 1
            12    3   6 1
            13    4   7 2
            14    5   8 1
            15    6   9 2
            16   21  22 2
            17   22  23 1
            18   23  24 2
            19   24  25 1
            20   25  26 2
            21   26  21 1
            22    8  10 1
            23   25  27 1
            24    8  11 1
            25   27  28 1
            26   10  12 1
            27   11  29 1
            28   12  13 1
            29   29  30 1
            30   13  14 1
            31   29  31 1
            32   14  15 1

» Japanese version   » Back

DBGET integrated database retrieval system