KEGG   DRUG: EpalrestatHelp
Entry
D01688                      Drug                                   

Name
Epalrestat (JP17/INN);
Kinedak (TN)
Formula
C15H13NO3S2
Exact mass
319.0337
Mol weight
319.3986
Structure
Mol fileKCF fileDB search
Class
Antidiabetic agent
 DG01882  Aldose reductase inhibitor
Remark
Therapeutic category: 3999
Product: D01688<JP>
Efficacy
Hypoglycemic, Aldose reductase inhibitor
Comment
Use for treatment of accumulation of Sorbitol [CPD:C00794] harm cells.
Target
AKR1B1 [HSA:231] [KO:K00011]
  Pathway
hsa00051  Fructose and mannose metabolism
hsa00052  Galactose metabolism
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01688  Epalrestat (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D01688  Epalrestat (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01688  Epalrestat
  D01688  Epalrestat tablets
BRITE hierarchy
Other DBs
CAS: 82159-09-9
PubChem: 7848751
ChEBI: 31539
ChEMBL: CHEMBL56337
LigandBox: D01688
NIKKAJI: J211.576J
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    15.2303  -16.8093
            2   C8x C    15.2303  -18.2105
            3   C8x C    16.4476  -18.9075
            4   C8x C    17.6576  -18.2105
            5   C8y C    17.6576  -16.8093
            6   C8x C    16.4476  -16.1051
            7   C2b C    18.8726  -16.1061
            8   C2c C    20.0864  -16.8111
            9   C2b C    21.3014  -16.1078
            10  C1a C    20.0854  -18.2122
            11  C2y C    22.3935  -16.8924
            12  C2y C    24.2355  -18.2245
            13  N1y N    24.6694  -16.8924
            14  C5x C    23.5315  -16.0629
            15  S2x S    22.8344  -18.2245
            16  O5x O    23.5313  -14.6618
            17  S0  S    25.0537  -19.3604
            18  C1b C    25.8761  -16.1756
            19  C6a C    27.0979  -16.8667
            20  O6a O    28.3048  -16.1497
            21  O6a O    27.1129  -18.2678
BOND        22
            1     4   5 1
            2     9  11 2
            3     5   6 2
            4     6   1 1
            5     5   7 1
            6    12  13 1
            7    13  14 1
            8    14  11 1
            9    11  15 1
            10   15  12 1
            11    1   2 2
            12   14  16 2
            13    7   8 2
            14   12  17 2
            15    2   3 1
            16   13  18 1
            17    8   9 1
            18   18  19 1
            19    3   4 2
            20   19  20 2
            21    8  10 1
            22   19  21 1

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