KEGG   DRUG: Taprenepag isopropylHelp
Entry
D09969                      Drug                                   

Name
Taprenepag isopropyl (USAN)
Formula
C27H28N4O5S
Exact mass
520.178
Mol weight
520.6
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01895
Efficacy
Antiglaucoma, Intraocular pressure lowering agent, Prostaglandin E2 receptor agonist
Comment
Prodrug
Non-prostanoid prostaglandin receptor agonist
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Structure map
map07054  Antiglaucoma agents
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D09969  Taprenepag isopropyl (USAN)
BRITE hierarchy
Other DBs
CAS: 1005549-94-9
PubChem: 135626690
ChEMBL: CHEMBL2105692
LigandBox: D09969
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8y C    16.1000  -25.4800
            2   C8x C    16.1000  -26.8800
            3   C8x C    17.2900  -27.5800
            4   C8y C    18.4800  -26.8800
            5   C8x C    18.4800  -25.4800
            6   C8x C    17.2900  -24.7800
            7   C1b C    19.7400  -27.6500
            8   N1c N    20.9300  -26.9500
            9   C1b C    22.1200  -27.5800
            10  C8y C    23.3100  -26.8800
            11  C8x C    24.5000  -27.5800
            12  C8x C    25.7600  -26.8800
            13  C8x C    25.7600  -25.4800
            14  C8y C    24.5700  -24.7800
            15  C8x C    23.3100  -25.4800
            16  S4a S    20.9300  -25.4800
            17  C8y C    20.9300  -24.0800
            18  O3c O    22.3300  -25.4800
            19  O3c O    19.5300  -25.4800
            20  C8x C    22.1200  -23.3800
            21  C8x C    22.1200  -21.9800
            22  C8x C    20.9300  -21.2800
            23  N5x N    19.7400  -21.9800
            24  C8x C    19.7400  -23.3800
            25  O2a O    24.5700  -23.3800
            26  C1b C    25.7600  -22.6800
            27  C7a C    27.0200  -23.3800
            28  O7a O    28.2100  -22.6800
            29  O6a O    27.0200  -24.7800
            30  N4y N    14.9100  -24.7800
            31  N5x N    14.9800  -23.3800
            32  C8x C    13.6500  -22.8900
            33  C8x C    12.7400  -24.0100
            34  C8x C    13.5800  -25.2000
            35  C1c C    29.4281  -23.3701
            36  C1a C    30.6095  -22.6750
            37  C1a C    29.3698  -24.7794
BOND        40
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17    8  16 1
            18   16  17 1
            19   16  18 2
            20   16  19 2
            21   17  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   17  24 1
            27   14  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32    1  30 1
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   30  34 1
            38   28  35 1
            39   35  36 1
            40   35  37 1

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