KEGG   DRUG: D03820Help
Entry
D03820                      Drug                                   

Name
Dutasteride (JAN/USAN/INN);
Avodart (TN)
Product
Formula
C27H30F6N2O2
Exact mass
528.2211
Mol weight
528.5297
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of benign prostatic hyperplasia [5alpha-reductase type 1 and 2 inhibitor]
Remark
Therapeutic category: 
ATC code: 
Target
5alpha-reductase 1 inhibitor [HSA:6715] [KO:K12343];
5alpha-reductase 2 inhibitor [HSA:6716] [KO:K12344]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa05215  Prostate cancer  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D03820  Dutasteride (JAN/USAN/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04C DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
    G04CB Testosterone-5-alpha reductase inhibitors
     G04CB02 Dutasteride
      D03820  Dutasteride (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Genitourinary Agents
  Benign Prostatic Hypertrophy Agents
   Dutasteride
    D03820  Dutasteride (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   5alpha-reductase 1 [HSA:6715] [KO:K12343]
    Dutasteride [ATC:G04CB02]
     D03820  Dutasteride (JAN/USAN/INN)
   5alpha-reductase 2 [HSA:6716] [KO:K12344]
    Dutasteride [ATC:G04CB02]
     D03820  Dutasteride (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
164656-23-9
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        37
            1   C2x C    28.5514  -21.3770
            2   C5x C    28.5514  -22.7540
            3   N1x N    29.7439  -23.4425
            4   C1y C    30.9364  -22.7540
            5   C1z C    30.9364  -21.3770
            6   C2x C    29.7439  -20.6885
            7   C1x C    32.1289  -23.4425
            8   C1x C    33.3214  -22.7540
            9   C1y C    33.3214  -21.3770
            10  C1y C    32.1289  -20.6885
            11  C1y C    34.5140  -20.6885
            12  C1z C    34.5140  -19.3115
            13  C1x C    33.3214  -18.6230
            14  C1x C    32.1289  -19.3115
            15  C1x C    36.8990  -20.6885
            16  C1x C    36.8990  -19.3115
            17  C1y C    35.7065  -18.6230
            18  C5a C    35.7065  -17.2460
            19  N1b N    36.9030  -16.5552
            20  O5a O    34.5180  -16.5597
            21  C8y C    38.0809  -17.2353
            22  C8x C    38.0810  -18.6227
            23  C8y C    39.2735  -19.3111
            24  C8x C    40.4660  -18.6226
            25  C8x C    40.4660  -17.2352
            26  C8y C    39.2734  -16.5468
            27  C1d C    39.2734  -15.1698
            28  X   F    40.6504  -15.1698
            29  X   F    39.2734  -13.7928
            30  X   F    37.8964  -15.1698
            31  C1d C    39.2735  -20.6881
            32  X   F    37.8964  -20.6881
            33  X   F    40.6505  -20.6881
            34  X   F    39.2735  -22.0651
            35  O5x O    27.3589  -23.4425
            36  C1a C    30.9364  -20.0000
            37  C1a C    34.5140  -17.9345
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 1
            23   18  20 2
            24   19  21 1
            25   21  22 2
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   21  26 1
            31   26  27 1
            32   27  28 1
            33   27  29 1
            34   27  30 1
            35   23  31 1
            36   31  32 1
            37   31  33 1
            38   31  34 1
            39    2  35 2
            40    5  36 1 #Up
            41   12  37 1 #Up

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