KEGG   DRUG: FidarestatHelp
Entry
D01842                      Drug                                   

Name
Fidarestat (JAN/INN);
SNK 860;
Aldos (TN)
Formula
C12H10FN3O4
Exact mass
279.0655
Mol weight
279.2239
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antidiabetic agent
 DG01882  Aldose reductase inhibitor
Efficacy
Hypoglycemic, Aldose reductase inhibitor
Target
AKR1B1 [HSA:231] [KO:K00011]
  Pathway
hsa00051  Fructose and mannose metabolism
hsa00052  Galactose metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D01842  Fidarestat (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 136087-85-9
PubChem: 7848904
ChEBI: 31611
ChEMBL: CHEMBL84446
DrugBank: DB02021
PDB-CCD: FID[PDBj]
LigandBox: D01842
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    19.8258  -17.9601
            2   C8x C    19.8258  -19.3441
            3   C8x C    21.0272  -20.0360
            4   C8x C    21.0272  -17.2682
            5   C8y C    22.1750  -18.0067
            6   C8y C    22.2157  -19.3441
            7   O2x O    23.4112  -20.0410
            8   C1y C    24.6126  -19.3542
            9   C1x C    24.6185  -17.9703
            10  C1z C    23.4230  -17.2733
            11  C5a C    25.8081  -20.0512
            12  O5a O    25.8413  -21.4804
            13  N1a N    27.0114  -19.3677
            14  N1x N    24.6136  -16.5692
            15  C5x C    22.2162  -16.5762
            16  N1x N    22.5726  -15.2342
            17  C5x C    24.2501  -15.2272
            18  O5x O    25.0888  -14.1265
            19  X   F    18.6276  -17.2675
            20  O5x O    20.8323  -16.5762
BOND        22
            1     9  10 1
            2    10   5 1
            3     8  11 1 #Up
            4     1   2 2
            5    11  12 2
            6     2   3 1
            7    11  13 1
            8     3   6 2
            9    10  14 1 #Up
            10    5   4 2
            11   10  15 1 #Down
            12    4   1 1
            13   15  16 1
            14    5   6 1
            15   14  17 1
            16   16  17 1
            17    6   7 1
            18   17  18 2
            19    7   8 1
            20    1  19 1
            21    8   9 1
            22   15  20 2

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