KEGG   DRUG: Vorbipiprant sodium
Entry
D12972                      Drug                                   
Name
Vorbipiprant sodium (USAN)
Formula
C26H26F3N2O3. Na
Exact mass
494.1793
Mol weight
494.48
Structure
Remark
Chemical structure group: DG03324
Efficacy
Anti-inflammatory, Antirheumatic, Prostaglandin receptor antagonist
Comment
Immunomodulator for tumors and autoimmune diseases
Target
PTGER4 [HSA:5734] [KO:K04261]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER4
     D12972  Vorbipiprant sodium (USAN)
Other DBs
CAS: 2502965-93-5
PubChem: 503268992
LinkDB
KCF data

ATOM        35
            1   C1z C    21.0131  -15.3395
            2   N1b N    19.8223  -14.6391
            3   C8y C    22.2038  -14.6391
            4   C5a C    18.6316  -15.3395
            5   C1y C    17.4408  -14.6391
            6   O5a O    18.6316  -16.7404
            7   C1x C    21.7135  -16.5303
            8   C1x C    20.3126  -16.5303
            9   C8x C    24.6553  -14.6391
            10  C8y C    24.6553  -13.2382
            11  C8x C    23.4646  -12.5378
            12  C8x C    22.2038  -13.2382
            13  C8x C    23.4646  -15.3395
            14  C6a C    25.8461  -12.5378
            15  O6a O    27.0368  -13.2382 #-
            16  O6a O    25.8461  -11.1369
            17  C1x C    17.4408  -13.2382
            18  C1z C    16.2501  -12.5378
            19  C1x C    14.9893  -13.2382
            20  C1x C    14.9893  -14.6391
            21  N1y N    16.2501  -15.3395
            22  C1b C    16.2501  -16.7404
            23  C8y C    15.0594  -17.4408
            24  C8x C    13.7986  -16.8105
            25  C8x C    12.6078  -17.5109
            26  C8y C    12.6078  -18.9118
            27  C8x C    13.8686  -19.6122
            28  C8x C    15.0594  -18.8417
            29  C1d C    11.4171  -19.6122
            30  X   F    10.1563  -20.3126
            31  X   F    12.1175  -20.8730
            32  X   F    10.7167  -18.4215
            33  C1x C    16.9505  -11.3471
            34  C1x C    15.5497  -11.3471
            35  Z   Na   26.6000  -15.3300 #+
BOND        38
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     5   4 1 #Down
            5     4   6 2
            6     7   8 1
            7     8   1 1
            8     1   7 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12   3 1
            13    3  13 2
            14    9  13 1
            15   10  14 1
            16   14  15 1
            17   14  16 2
            18    5  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23    5  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1
            36   33  34 1
            37   34  18 1
            38   18  33 1

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