KEGG   DRUG: Carbenoxolone sodiumHelp
Entry
D01899                      Drug                                   

Name
Carbenoxolone sodium (JAN/USAN)
Formula
C34H48O7. 2Na
Exact mass
614.3195
Mol weight
614.7203
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: A02BX01
Chemical structure group: DG00024
Efficacy
Anti-inflammatory, Anti-ulcerative
Comment
Glycyrrhetinic acid [CPD:C02283] derivative
Target
HSD11B1 [HSA:3290] [KO:K15680]
  Pathway
hsa00140  Steroid hormone biosynthesis
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
      D01899  Carbenoxolone sodium (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HSD11B1
     D01899  Carbenoxolone sodium (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 7421-40-1
PubChem: 7848961
ChEBI: 31351
ChEMBL: CHEMBL1697717
DrugBank: DB02329
LigandBox: D01899
NIKKAJI: J8.933H
LinkDB All DBs
KCF data Show

ATOM        43
            1   C1x C    21.7541  -14.0704
            2   C1y C    21.7541  -15.4759
            3   C1z C    22.9742  -16.1786
            4   C1x C    22.9742  -13.3677
            5   C1z C    24.1871  -14.0704
            6   C1y C    24.1809  -15.4759
            7   C1x C    25.3950  -16.1837
            8   C1x C    26.6153  -15.4863
            9   C1y C    25.4072  -13.3728
            10  C1z C    26.6153  -14.0838
            11  C2x C    26.6383  -11.2802
            12  C5x C    25.4186  -11.9712
            13  C2y C    27.8464  -11.9912
            14  C1z C    27.8296  -13.3886
            15  C1x C    29.0312  -14.1020
            16  C1x C    30.2500  -13.4178
            17  C1y C    29.0652  -11.3070
            18  C1z C    30.2644  -12.0218
            19  C1x C    31.4830  -11.3407
            20  C1x C    31.5026   -9.9448
            21  C1z C    30.3033   -9.2300
            22  C1x C    29.0381   -9.9111
            23  C6a C    30.2931   -7.8241
            24  O6a O    29.0708   -7.1304 #-
            25  O6a O    31.5050   -7.1124
            26  C1a C    31.5138   -8.5197
            27  O5x O    24.2073  -11.2586
            28  O7a O    20.5403  -16.1786
            29  C7a C    19.3265  -15.4759
            30  C1b C    18.1127  -16.1786
            31  C1b C    16.8990  -15.4759
            32  C6a C    15.6852  -16.1786
            33  O6a O    14.4672  -15.4773 #-
            34  O6a O    19.3265  -14.0704
            35  O6a O    15.6869  -17.5841
            36  C1a C    29.9005  -10.6136
            37  C1a C    26.2287  -12.6720
            38  C1a C    24.2445  -12.6650
            39  C1a C    27.8858  -14.7874
            40  C1a C    22.2579  -17.7424
            41  C1a C    23.6634  -17.7424
            42  Z   Na   12.2355  -15.4901 #+
            43  Z   Na   26.6587   -7.1142 #+
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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