KEGG   DRUG: D07615Help
Entry
D07615                      Drug                                   

Name
Carbenoxolone (INN)
Formula
C34H50O7
Exact mass
570.3557
Mol weight
570.7566
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiinflammatory
Remark
ATC code: 
Drug group: 
Comment
glycyrrhetinic acid [CPD:C02283] derivative
Target
hydroxysteroid (11-beta) dehydrogenase 1 inhibitor [HSA:3290] [KO:K15680]
  Pathway
hsa00140  Steroid hormone biosynthesis  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BX Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD)
     A02BX01 Carbenoxolone
      D07615  Carbenoxolone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   hydroxysteroid (11-beta) dehydrogenase 1
    Carbenoxolone
     D07615  Carbenoxolone (INN)
BRITE hierarchy
Other DBs
CAS: 
5697-56-3
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        41
            1   C1x C    17.4421  -17.8029
            2   C1y C    17.4421  -19.1995
            3   C1z C    18.6991  -19.8978
            4   C1x C    18.6991  -17.1046
            5   C1z C    19.8862  -17.8029
            6   C1y C    19.8862  -19.1995
            7   C1x C    21.0733  -19.8978
            8   C1x C    22.2604  -19.1995
            9   C1y C    21.0733  -17.1046
            10  C1z C    22.2604  -17.8029
            11  C2x C    22.2604  -15.0096
            12  C5x C    21.0733  -15.7080
            13  C2y C    23.4474  -15.7080
            14  C1z C    23.4476  -17.1046
            15  C1x C    24.6347  -17.8029
            16  C1x C    25.8917  -17.1744
            17  C1y C    24.7045  -15.0795
            18  C1z C    25.8917  -15.7778
            19  C1x C    27.0788  -15.0795
            20  C1x C    27.0788  -13.7527
            21  C1z C    25.8917  -12.9845
            22  C1x C    24.7047  -13.6829
            23  C6a C    25.8917  -11.6578
            24  O6a O    24.7045  -10.9594
            25  O6a O    27.0788  -10.9594
            26  C1a C    27.0788  -12.2862
            27  O5x O    19.8862  -15.0096
            28  O7a O    16.2550  -19.8978
            29  C7a C    15.0678  -19.1995
            30  C1b C    13.8807  -19.8978
            31  C1b C    12.6936  -19.1995
            32  C6a C    11.5064  -19.8978
            33  O6a O    10.2495  -19.1995
            34  O6a O    15.0678  -17.8029
            35  O6a O    11.5064  -21.2945
            36  C1a C    25.8925  -14.6612
            37  C1a C    22.1213  -16.8263
            38  C1a C    19.8860  -16.4063
            39  C1a C    23.5174  -18.5012
            40  C1a C    18.0007  -21.4341
            41  C1a C    19.3275  -21.4341
BOND        45
            1    18  19 1
            2    19  20 1
            3    20  21 1
            4    21  22 1
            5    22  17 1
            6     3   6 1
            7    21  23 1 #Up
            8     5   4 1
            9    23  24 1
            10    4   1 1
            11   23  25 2
            12    9  10 1
            13   21  26 1 #Down
            14   10  14 1
            15   12  27 2
            16   13  11 2
            17    2  28 1 #Up
            18   11  12 1
            19   28  29 1
            20   12   9 1
            21   29  30 1
            22   30  31 1
            23   31  32 1
            24   32  33 1
            25    1   2 1
            26   29  34 2
            27   13  14 1
            28   32  35 2
            29   14  15 1
            30   18  36 1 #Up
            31   15  16 1
            32   16  18 1
            33   10  37 1 #Up
            34   17  13 1
            35    5  38 1 #Up
            36    5   6 1
            37    6   7 1
            38    7   8 1
            39   14  39 1 #Down
            40    8  10 1
            41    3  40 1
            42    9   5 1
            43    3  41 1
            44    2   3 1
            45   17  18 1

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