KEGG   DRUG: VarespladibHelp
Entry
D08107                      Drug                                   

Name
Varespladib (USAN/INN)
Formula
C21H20N2O5
Exact mass
380.1372
Mol weight
380.3939
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01394
Efficacy
Antidyslipidemia, Secretory phospholipase A2 (sPLA2) inhibitor
Comment
Treatment of dyslipidemia
Target
PLA2G7 (LP-PLA2) [HSA:7941] [KO:K01062]
  Pathway
hsa00565  Ether lipid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    PLA2G7 (LP-PLA2)
     D08107  Varespladib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 172732-68-2
PubChem: 96024797
ChEMBL: CHEMBL148674
LigandBox: D08107
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1b C    18.5690  -19.4105
            2   C8y C    19.8300  -20.1111
            3   N4y N    18.5690  -18.0094
            4   C8x C    19.8300  -21.5122
            5   C8x C    21.0209  -22.2127
            6   C8x C    22.2118  -21.5122
            7   C8x C    22.2118  -20.1111
            8   C8x C    21.0209  -19.4105
            9   C8y C    19.6899  -17.1688
            10  C8y C    19.2695  -15.8377
            11  C8y C    17.8684  -15.8377
            12  C8y C    17.4481  -17.1688
            13  C8y C    16.9577  -14.8569
            14  C8x C    15.5566  -15.1372
            15  C8x C    15.1363  -16.4682
            16  C8x C    16.1171  -17.5190
            17  C1b C    20.8808  -17.8693
            18  C1a C    22.1418  -17.1688
            19  C5a C    19.9701  -14.6468
            20  C5a C    21.3712  -14.6468
            21  N1a N    22.0717  -13.4558
            22  O5a O    19.2695  -13.4558
            23  O5a O    22.0717  -15.9078
            24  O2a O    17.3780  -13.5259
            25  C1b C    16.3973  -12.4751
            26  C6a C    15.0272  -12.8204
            27  O6a O    14.0582  -11.8219
            28  O6a O    14.6494  -14.1515
BOND        30
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     2   8 1
            9     3   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13    3  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   12  16 2
            19    9  17 1
            20   17  18 1
            21   10  19 1
            22   19  20 1
            23   20  21 1
            24   19  22 2
            25   20  23 2
            26   13  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   26  28 1

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