KEGG   DRUG: RiociguatHelp
Entry
D09572                      Drug                                   

Name
Riociguat (JAN/USAN/INN);
Adempas (TN)
Product
Formula
C20H19FN8O2
Exact mass
422.1615
Mol weight
422.4157
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG02918  CYP2C8 substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
 DG01913  ABCG2 (BCRP) substrate
Remark
Therapeutic category: 2190
ATC code: C02KX05
Product: D09572<JP/US>
Efficacy
Vasodilator, Guanylate cyclase activator
  Disease
Chronic-thromboembolic pulmonary hypertension [DS:H01622]
Pulmonary arterial hypertension [DS:H01621]
Target
GUCY1A [HSA:2977 2982] [KO:K12318]
GUCY1B [HSA:2983] [KO:K12319]
  Pathway
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
Metabolism
Enzyme: CYP1A1 [HSA:1543], CYP2C8 [HSA:1558], CYP2J2 [HSA:1573], CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KX Antihypertensive for pulmonary arterial hypertension
     C02KX05 Riociguat
      D09572  Riociguat (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Guanylate Cyclase (sGC) stimulator
    Riociguat
     D09572  Riociguat (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D09572  Riociguat (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY1A
     D09572  Riociguat (JAN/USAN/INN) <JP/US>
    GUCY1B
     D09572  Riociguat (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09572
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09572
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09572
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09572
BRITE hierarchy
Other DBs
CAS: 625115-55-1
PubChem: 124490312
ChEBI: 76018
ChEMBL: CHEMBL2107834
LigandBox: D09572
KCF data Show

ATOM        31
            1   N5x N    13.4400  -16.3800
            2   C8y C    13.4400  -17.7800
            3   N5x N    14.6300  -18.4800
            4   C8y C    15.8900  -17.7800
            5   C8y C    15.8900  -16.3800
            6   C8y C    14.6300  -15.6800
            7   N1a N    14.6300  -14.2800
            8   N1c N    17.0800  -15.6800
            9   N1a N    17.0800  -18.4800
            10  C7a C    18.2700  -16.3800
            11  O7a O    19.4600  -15.6800
            12  O6a O    18.2700  -17.7800
            13  C1a C    20.6500  -16.3800
            14  C1a C    17.0800  -14.2800
            15  C8y C    12.2500  -18.4800
            16  N4y N    10.0100  -18.5500
            17  C8y C    10.4300  -19.8100
            18  C8y C    11.8300  -19.8100
            19  N5x N    11.1300  -17.6400
            20  N5x N     9.8000  -21.0700
            21  C8x C    10.5000  -22.2600
            22  C8x C    11.9000  -22.2600
            23  C8x C    12.6000  -21.0000
            24  C1b C     8.8200  -17.8500
            25  C8y C     7.6300  -18.5500
            26  C8x C     6.4400  -17.8500
            27  C8x C     5.1800  -18.5500
            28  C8x C     5.1800  -19.9500
            29  C8x C     6.3700  -20.6500
            30  C8y C     7.6300  -19.9500
            31  X   F     8.8200  -20.6500
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     5   8 1
            9     4   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14    8  14 1
            15    2  15 1
            16   16  17 1
            17   17  18 2
            18   18  15 1
            19   15  19 2
            20   16  19 1
            21   17  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   24  16 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   25  30 2
            34   30  31 1

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