KEGG   DRUG: Omidenepag
Entry
D10965                      Drug                                   
Name
Omidenepag (USAN/INN)
Formula
C23H22N6O4S
Exact mass
478.1423
Mol weight
478.5236
Structure
Simcomp
Class
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Metabolizing enzyme substrate
 DG02970  CES substrate
  DG03241  CES1 substrate
Remark
ATC code: S01EX06
Chemical structure group: DG02831
Product (DG02831): D10966<JP/US>
Efficacy
Antiglaucoma, Prostaglandin E2 receptor agonist
Comment
Treatment of open-angle glaucoma and ocular hypertension
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CES1 [HSA:1066]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EX Other antiglaucoma preparations
     S01EX06 Omidenepag
      D10965  Omidenepag (USAN/INN)
Drug groups [BR:br08330]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG02831  Omidenepag
    D10965  Omidenepag
 Metabolizing enzyme substrate
  DG02970  CES substrate
   DG03241  CES1 substrate
    DG02831  Omidenepag
     D10965  Omidenepag
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D10965  Omidenepag (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10965
Drug groups [BR:br08330]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG02831  Omidenepag
 Metabolizing enzyme substrate
  DG02970  CES substrate
   DG03241  CES1 substrate
    DG02831  Omidenepag
Other DBs
CAS: 1187451-41-7
PubChem: 342581814
LinkDB
KCF data

ATOM        34
            1   C8x C    13.9307  -13.0205
            2   C8x C    13.9307  -14.4206
            3   C8y C    15.1432  -15.1206
            4   N5x N    16.3558  -14.4206
            5   C8y C    16.3558  -13.0205
            6   C8x C    15.1432  -12.3205
            7   C1b C    15.1432  -16.5205
            8   N1c N    16.3389  -17.2110
            9   C1b C    17.5261  -16.5255
            10  S4a S    16.3391  -18.6205
            11  C8y C    18.7176  -17.2136
            12  C8x C    18.7176  -18.6205
            13  C8x C    19.9301  -19.3206
            14  C8y C    21.1427  -18.6205
            15  C8x C    21.1427  -17.2135
            16  C8x C    19.9301  -16.5134
            17  N4y N    22.3541  -19.3200
            18  C8x C    22.5003  -20.7108
            19  C8x C    23.8681  -21.0015
            20  C8x C    24.5674  -19.7904
            21  N5x N    23.6316  -18.7513
            22  C8y C    15.1055  -19.3331
            23  C8x C    13.8992  -18.6368
            24  N5x N    12.6867  -19.3371
            25  C8x C    12.6869  -20.7372
            26  C8x C    13.8932  -21.4334
            27  C8x C    15.1057  -20.7332
            28  N1b N    17.5933  -12.3205
            29  C1b C    18.8059  -13.0205
            30  C6a C    20.0184  -12.3205
            31  O6a O    21.2309  -13.0205
            32  O6a O    20.0184  -10.9204
            33  O3c O    17.7391  -18.6205
            34  O3c O    17.0391  -19.8331
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     3   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24   10  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31    5  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2
            36   10  33 2
            37   10  34 2

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