KEGG   DRUG: Macitentan
Entry
D10135                      Drug                                   
Name
Macitentan (JAN/USAN);
Opsumit (TN)
Product
OPSUMIT (Actelion Pharmaceuticals US)
Formula
C19H20Br2N6O4S
Exact mass
585.9633
Mol weight
588.2729
Structure
Simcomp
Class
Cardiovascular agent
 DG01502  Endothelin receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2190
ATC code: C02KX04
Product: D10135<JP/US>
Efficacy
Antihypertensive, Endothelin receptor antagonist
  Disease
Pulmonary arterial hypertension [DS:H01621]
Comment
Pulmonary arterial hypertension, idiopathic pulmonary fibrosis, oncology
Target
EDNR [HSA:1909 1910] [KO:K04197 K04198]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KX Antihypertensives for pulmonary arterial hypertension
     C02KX04 Macitentan
      D10135  Macitentan (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Endothelin Receptor Antagonists
    Macitentan
     D10135  Macitentan (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D10135  Macitentan (JAN/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01502  Endothelin receptor antagonist
   D10135  Macitentan
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D10135  Macitentan
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    EDNR
     D10135  Macitentan (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10135
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10135
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10135
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10135
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10135
Other DBs
CAS: 441798-33-0
PubChem: 135626853
ChEBI: 76607
LigandBox: D10135
KCF data

ATOM        32
            1   S4a S    26.3200  -21.2800
            2   N1b N    27.5100  -21.9800
            3   N1b N    25.1300  -21.9800
            4   O3c O    27.3000  -20.3000
            5   O3c O    25.3400  -20.3000
            6   C1b C    23.9400  -21.2800
            7   C1b C    22.7500  -21.9800
            8   C1a C    21.5600  -21.2800
            9   C8y C    27.5100  -23.3800
            10  N5x N    26.3200  -24.0800
            11  C8x C    26.3200  -25.4800
            12  N5x N    27.5100  -26.1800
            13  C8y C    28.7000  -25.4800
            14  C8y C    28.7000  -24.0800
            15  C8y C    29.8900  -23.3800
            16  C8x C    31.0800  -24.0800
            17  C8x C    32.3400  -23.3800
            18  C8y C    32.3400  -21.9800
            19  C8x C    31.1500  -21.2800
            20  C8x C    29.8900  -21.9800
            21  X   Br   33.5300  -21.2800
            22  O2a O    29.8900  -26.1800
            23  C1b C    31.0800  -25.4800
            24  C1b C    32.2700  -26.1800
            25  O2a O    33.4600  -25.4800
            26  C8y C    34.6500  -26.1800
            27  N5x N    34.6500  -27.5800
            28  C8x C    35.9100  -28.2800
            29  C8y C    37.1000  -27.5800
            30  C8x C    37.1000  -26.1800
            31  N5x N    35.9100  -25.4800
            32  X   Br   38.2900  -28.2800
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     2   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   18  21 1
            23   13  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1
            34   29  32 1

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Ontology (10)   
   KEGG BRITE (10)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (20)   

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