KEGG   DRUG: Seratrodast
Entry
D01123                      Drug                                   
Name
Seratrodast (JAN/USAN/INN);
Bronica (TN)
Formula
C22H26O4
Exact mass
354.1831
Mol weight
354.44
Structure
Class
Anti-allergic agent
 DG01517  Thromboxane A2 receptor antagonist
Remark
Therapeutic category: 4490
ATC code: R03DX06
Efficacy
Antiasthmatic, Anti-inflammatory, Thromboxane A2 (TXA2) receptor antagonist
Target
TBXA2R [HSA:6915] [KO:K04264]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07034  Eicosanoids
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DX Other systemic drugs for obstructive airway diseases
     R03DX06 Seratrodast
      D01123  Seratrodast (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D01123  Seratrodast (JAN/USAN/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01517  Thromboxane A2 receptor antagonist
   D01123  Seratrodast
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    TBXA2R
     D01123  Seratrodast (JAN/USAN/INN)
Other DBs
CAS: 112665-43-7
PubChem: 7848186
ChEBI: 32126
LigandBox: D01123
NIKKAJI: J391.500J
LinkDB
KCF data

ATOM        26
            1   C2y C    18.1641  -16.4255
            2   C2y C    18.1641  -15.0238
            3   C5x C    19.3810  -14.3229
            4   C2y C    20.5907  -15.0238
            5   C2y C    20.5907  -16.4255
            6   C5x C    19.3810  -17.1264
            7   C1c C    21.7959  -17.1264
            8   C1b C    23.0064  -16.4326
            9   C1b C    24.2170  -17.1335
            10  C1b C    25.4276  -16.4396
            11  C1b C    26.6382  -17.1405
            12  C1b C    27.8488  -16.4467
            13  C6a C    29.0594  -17.1476
            14  O6a O    30.2699  -16.4539
            15  O6a O    29.0563  -18.5493
            16  C8y C    21.7913  -18.5281
            17  C8x C    23.0046  -19.2303
            18  C8x C    23.0000  -20.6320
            19  C8x C    21.7840  -21.3290
            20  C8x C    20.5722  -20.6242
            21  C8x C    20.5766  -19.2227
            22  O5x O    19.3827  -12.9212
            23  O5x O    19.3827  -18.5281
            24  C1a C    21.8050  -14.3237
            25  C1a C    16.9505  -14.3222
            26  C1a C    16.9505  -17.1270
BOND        27
            1    12  13 1
            2    13  14 1
            3     5   7 1
            4    13  15 2
            5     1   2 2
            6     7  16 1
            7     7   8 1
            8     2   3 1
            9     8   9 1
            10    3   4 1
            11    9  10 1
            12   16  17 2
            13   17  18 1
            14   18  19 2
            15   19  20 1
            16   20  21 2
            17   21  16 1
            18    4   5 2
            19    3  22 2
            20   10  11 1
            21    6  23 2
            22    5   6 1
            23    4  24 1
            24   11  12 1
            25    2  25 1
            26    6   1 1
            27    1  26 1

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