KEGG   DRUG: D04498Help
Entry
D04498                      Drug                                   

Name
Idronoxil (USAN/INN)
Formula
C15H12O3
Exact mass
240.0786
Mol weight
240.254
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic which acts as an antiproliferative, topoisomerase II inhibitor;
5alpha reductase inhibitor
Target
5alpha-reductase inhibitor [HSA:6715 6716 79644] [KO:K12343 K12344 K12345];
topoisomerase II inhibitor [HSA:7153 7155] [KO:K03164]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa05215  Prostate cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   5alpha-reductase 1
    Idronoxil
     D04498  Idronoxil (USAN/INN)
   5alpha-reductase 2
    Idronoxil
     D04498  Idronoxil (USAN/INN)
   5alpha-reductase 3
    Idronoxil
     D04498  Idronoxil (USAN/INN)
  Isomerases
   topoisomerase II
    Idronoxil
     D04498  Idronoxil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
81267-65-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        18
            1   C8y C    10.5700  -18.2700
            2   C8x C    10.5700  -19.6700
            3   C8x C    11.7824  -20.3700
            4   C8y C    12.9949  -19.6700
            5   C8y C    12.9949  -18.2700
            6   C8x C    11.7824  -17.5700
            7   C2x C    14.2073  -20.3700
            8   C2y C    15.4197  -19.6700
            9   C1x C    15.4197  -18.2700
            10  O2x O    14.2073  -17.5700
            11  O1a O     9.3576  -17.5700
            12  C8y C    16.6173  -20.3615
            13  C8x C    16.6173  -21.7697
            14  C8x C    17.8298  -22.4697
            15  C8y C    19.0422  -21.7697
            16  C8x C    19.0422  -20.3615
            17  C8x C    17.8297  -19.6615
            18  O1a O    20.2531  -22.4688
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1

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