KEGG   DRUG: Ponalrestat
Entry
D03806                      Drug                                   
Name
Ponalrestat (USAN/INN)
Formula
C17H12BrFN2O3
Exact mass
390.0015
Mol weight
391.1912
Structure
Class
Antidiabetic agent
 DG01882  Aldose reductase inhibitor
Efficacy
Aldose reductase inhibitor
Target
AKR1B1 [HSA:231] [KO:K00011]
  Pathway
hsa00051  Fructose and mannose metabolism
hsa00052  Galactose metabolism
Interaction
Brite
Drug groups [BR:br08330]
 Antidiabetic agent
  DG01882  Aldose reductase inhibitor
   D03806  Ponalrestat
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D03806  Ponalrestat (USAN/INN)
Other DBs
CAS: 72702-95-5
PubChem: 17397894
LigandBox: D03806
NIKKAJI: J22.229A
KCF data

ATOM        24
            1   C8y C    29.8900  -18.9700
            2   C8y C    29.8900  -20.3700
            3   C8y C    31.0800  -18.2700
            4   C8x C    28.7000  -18.2700
            5   C8y C    31.0800  -21.0700
            6   C8x C    28.7000  -21.0700
            7   N5x N    32.2700  -18.9700
            8   C1b C    31.0800  -16.8700
            9   C8x C    27.4400  -18.9700
            10  N4y N    32.2700  -20.3700
            11  O5x O    31.0800  -22.4700
            12  C8x C    27.4400  -20.3700
            13  C6a C    32.2700  -16.1700
            14  O6a O    33.5300  -16.8700
            15  O6a O    32.2700  -14.7700
            16  C1b C    33.4824  -21.0700
            17  C8y C    34.6949  -20.3700
            18  C8y C    35.9260  -21.0810
            19  C8x C    37.1385  -20.3812
            20  C8y C    37.1387  -18.9812
            21  C8x C    35.9076  -18.2702
            22  C8x C    34.6951  -18.9700
            23  X   F    35.9257  -22.4699
            24  X   Br   38.3795  -18.2649
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    8  13 1
            13   13  14 1
            14   13  15 2
            15    7  10 1
            16    9  12 1
            17   10  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   20  24 1

» Japanese version   » Back

  All links  
Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

Download RDF
DBGET integrated database retrieval system