KEGG   DRUG: Selexipag
Entry
D09994                      Drug                                   
Name
Selexipag (JAN/USAN/INN);
Uptravi (TN)
Product
SELEXIPAG (Actelion Pharmaceuticals US)
  Generic
SELEXIPAG (Zydus Pharmaceuticals (USA))
Formula
C26H32N4O4S
Exact mass
496.2144
Mol weight
496.62
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03184  UGT1A3 substrate
  DG03190  UGT2B7 substrate
Remark
Therapeutic category: 2190
ATC code: B01AC27
Product: D09994<JP/US>
Efficacy
Antihypertensive, Vasodilator, Prostaglandin I2 receptor agonist
  Disease
Pulmonary arterial hypertension [DS:H01621]
Target
PTGIR [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576], UGT1A3 [HSA:54659], UGT2B7 [HSA:7364]
Interaction
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
     B01AC27 Selexipag
      D09994  Selexipag (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Prostacyclin Receptor Agonist
    Selexipag
     D09994  Selexipag (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D09994  Selexipag (JAN/USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    D09994  Selexipag
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D09994  Selexipag
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D09994  Selexipag
  DG02924  UGT substrate
   DG03184  UGT1A3 substrate
    D09994  Selexipag
   DG03190  UGT2B7 substrate
    D09994  Selexipag
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D09994  Selexipag (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09994
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09994
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09994
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09994
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09994
Other DBs
CAS: 475086-01-2
PubChem: 135626715
ChEBI: 90844
LigandBox: D09994
LinkDB
KCF data

ATOM        35
            1   C8y C    11.7600  -18.3400
            2   C8y C    11.7600  -19.7400
            3   N5x N    12.9724  -20.4400
            4   C8x C    14.1849  -19.7400
            5   C8y C    14.1849  -18.3400
            6   N5x N    12.9724  -17.6400
            7   C8y C    10.5476  -17.6400
            8   C8y C    10.5476  -20.4400
            9   C8x C    10.5476  -16.2402
            10  C8x C     9.3351  -15.5402
            11  C8x C     8.1227  -16.2402
            12  C8x C     8.1227  -17.6400
            13  C8x C     9.3351  -18.3400
            14  C8x C     9.3521  -19.7496
            15  C8x C     8.1396  -20.4495
            16  C8x C     8.1394  -21.8495
            17  C8x C     9.3349  -22.5399
            18  C8x C    10.5474  -21.8400
            19  N1c N    15.4160  -17.6290
            20  C1b C    16.6212  -18.3247
            21  C1c C    15.4157  -16.2401
            22  C1a C    14.1914  -15.5334
            23  C1a C    16.6162  -15.5466
            24  C1b C    17.8035  -17.6419
            25  C1b C    18.9975  -18.3312
            26  C1b C    20.1854  -17.6452
            27  O2a O    21.3765  -18.3329
            28  C1b C    22.5659  -17.6461
            29  C5a C    23.7562  -18.3334
            30  N1b N    24.9461  -17.6463
            31  S4a S    26.1362  -18.3335
            32  O5a O    23.7564  -19.7398
            33  C1a C    27.3486  -19.0335
            34  O3c O    25.4271  -19.5621
            35  O3c O    26.8265  -17.1373
BOND        37
            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     1   7 1
            8     2   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15    8  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20    8  18 1
            21    5  19 1
            22   19  20 1
            23   19  21 1
            24   21  22 1
            25   21  23 1
            26   20  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   29  32 2
            35   31  33 1
            36   31  34 2
            37   31  35 2

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