KEGG   DRUG: D03778Help
Entry
D03778                      Drug                                   

Name
Fadrozole hydrochloride hydrate (JAN);
Afema (TN)
Formula
(C14H13N3. HCl)2. H2O
Exact mass
536.1858
Mol weight
537.4834
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
aromatase inhibitor [HSA:1588] [KO:K07434]
  Pathway
hsa00140  Steroid hormone biosynthesis  
 
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   aromatase
    Fadrozole
     D03778  Fadrozole hydrochloride hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        37
            1   C1x C    31.2131  -17.9636
            2   C1x C    32.6125  -17.9636
            3   C1x C    33.3122  -16.7517
            4   C1y C    30.5134  -16.7517
            5   N4y N    31.2131  -15.5399
            6   C8y C    32.6159  -15.5439
            7   C8x C    33.0532  -14.2110
            8   N5x N    31.9206  -13.3834
            9   C8x C    30.7834  -14.2046
            10  C8y C    29.1160  -16.7552
            11  C8x C    28.4163  -15.5434
            12  C8x C    27.0169  -15.5433
            13  C8y C    26.3172  -16.7552
            14  C8x C    27.0169  -17.9672
            15  C8x C    28.4163  -17.9672
            16  C3b C    24.9178  -16.7552
            17  N3a N    23.5164  -16.7479
            18  X   Cl   35.8849  -15.8362
            19  O0  O    40.2032  -15.7656
            20  C1x C    31.2131  -17.9636
            21  C1y C    30.5134  -16.7517
            22  N4y N    31.2131  -15.5399
            23  C8y C    32.6159  -15.5439
            24  C8x C    33.0532  -14.2110
            25  N5x N    31.9206  -13.3834
            26  C8x C    30.7834  -14.2046
            27  C1x C    33.3122  -16.7517
            28  C1x C    32.6125  -17.9636
            29  C8y C    29.1160  -16.7552
            30  C8x C    28.4163  -15.5434
            31  C8x C    27.0169  -15.5433
            32  C8y C    26.3172  -16.7552
            33  C8x C    27.0169  -17.9672
            34  C8x C    28.4163  -17.9672
            35  C3b C    24.9178  -16.7552
            36  N3a N    23.5164  -16.7479
            37  X   Cl   35.8849  -15.8362
BOND        38
            1     2   3 1
            2    16  17 3
            3     5   6 1
            4     6   7 2
            5     7   8 1
            6     8   9 2
            7     9   5 1
            8     3   6 1
            9     5   4 1
            10    4   1 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  10 1
            17    4  10 1
            18    1   2 1
            19   13  16 1
            20   28  27 1
            21   35  36 3
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  22 1
            27   27  23 1
            28   22  21 1
            29   21  20 1
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  29 1
            36   21  29 1
            37   20  28 1
            38   32  35 1
BRACKET     1    22.7500  -18.6900   22.7500  -12.5300
            1    37.3800  -12.5300   37.3800  -18.6900
            1  2
 ORIGINAL  1    1   4   5   6   7   8   9   3   2  10  11  12  13  14  15  16
            1   17  18
 REPEAT    1   20  21  22  23  24  25  26  27  28  29  30  31  32  33  34  35
            1   36  37

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