KEGG   DRUG: D10135Help
Entry
D10135                      Drug                                   

Name
Macitentan (JAN/USAN);
Opsumit (TN)
Product
Formula
C19H20Br2N6O4S
Exact mass
585.9633
Mol weight
588.2729
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pulmonary arterial hypertension, idiopathic pulmonary fibrosis, oncology
Remark
ATC code: 
Target
endothelin receptor type A antagonist [HSA:1909] [KO:K04197];
endothelin receptor type B antagonist [HSA:1910] [KO:K04198]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KX Other antihypertensives
     C02KX04 Macitentan
      D10135  Macitentan (JAN/USAN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Macitentan
    D10135  Macitentan (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A
     Macitentan
      D10135  Macitentan (USAN)
    endothelin receptor type B
     Macitentan
      D10135  Macitentan (USAN)
BRITE hierarchy
Other DBs
CAS: 
441798-33-0
PubChem: 
LigandBox: 
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system