KEGG   DRUG: D03929Help
Entry
D03929                      Drug                                   
Name
Ecadotril (USAN/INN)
Formula
C21H23NO4S
Exact mass
385.1348
Mol weight
385.4766
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Target
neutral endopeptidase inhibitor [HSA:4311] [KO:K01389]
  Pathway
hsa04614  Renin-angiotensin system  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   neutral endopeptidase [HSA:4311] [KO:K01389]
    Ecadotril
     D03929  Ecadotril (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
112573-73-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8x C     7.7000  -17.7800
            2   C8x C     7.7000  -19.1800
            3   C8x C     8.9124  -19.8800
            4   C8x C    10.1249  -19.1800
            5   C8y C    10.1249  -17.7800
            6   C8x C     8.9124  -17.0800
            7   C1b C    12.5497  -19.1800
            8   C1c C    12.5497  -17.7800
            9   C1b C    11.3373  -17.0800
            10  N1b N    14.9746  -17.7800
            11  C5a C    13.7622  -17.0800
            12  O5a O    13.7622  -15.6803
            13  C1b C    16.1911  -17.0777
            14  C7a C    17.3886  -17.7692
            15  O7a O    18.5749  -17.0843
            16  O6a O    17.3887  -19.1797
            17  C1b C    19.7667  -17.7726
            18  C8y C    20.9559  -17.0861
            19  C8x C    22.1462  -17.7735
            20  C8x C    23.3587  -17.0736
            21  C8x C    23.3589  -15.6736
            22  C8x C    22.1686  -14.9862
            23  C8x C    20.9561  -15.6861
            24  S2a S    11.3226  -19.8886
            25  C5a C    11.3153  -21.2798
            26  O5a O    10.1179  -21.9630
            27  C1a C    12.5425  -21.9969
BOND        28
            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     8   9 1
            8     5   9 1
            9    10  11 1
            10    8  11 1
            11    8   7 1 #Up
            12   11  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25    7  24 1
            26   24  25 1
            27   25  26 2
            28   25  27 1

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