KEGG   DRUG: Testosterone undecanoate
Entry
D06087                      Drug                                   

Name
Testosterone undecanoate (USAN);
Andriol (TN);
Aveed (TN)
Product
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Simcomp
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
ATC code: G03BA03
Chemical structure group: DG00460
Product (DG00460): D00075<US> D00957<US> D00958<JP/US> D06087<US>
Efficacy
Osteoporosis agent, Replenisher (androgen), Androgen receptor agonist
  Disease
Hypogonadotropic hypogonadism [DS:H00255]
Cryptorchidism [DS:H02176]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03B ANDROGENS
    G03BA 3-oxoandrosten (4) derivatives
     G03BA03 Testosterone
      D06087  Testosterone undecanoate (USAN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Testosterone
    D06087  Testosterone undecanoate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D06087  Testosterone undecanoate (USAN) <US>
Other DBs
CAS: 5949-44-0
PubChem: 47207745
ChEMBL: CHEMBL2107067
DrugBank: DB00624
LigandBox: D06087
NIKKAJI: J61.334G
LinkDB
KCF data

ATOM        33
            1   C1y C    27.8027  -26.8341
            2   C1y C    26.6157  -26.1733
            3   C1y C    29.0304  -26.1617
            4   C1x C    27.8085  -28.1907
            5   C1z C    25.4521  -26.8516
            6   C1x C    26.6099  -24.8227
            7   C1z C    29.0190  -24.8168
            8   C1x C    31.3285  -26.1617
            9   C1x C    26.6331  -28.8864
            10  C2y C    25.4695  -28.2082
            11  C1x C    24.2824  -26.1850
            12  C1a C    25.4461  -25.5067
            13  C1x C    27.7793  -24.1444
            14  C1y C    30.1298  -24.1210
            15  C1a C    29.0072  -23.4017
            16  C1x C    31.3111  -24.8051
            17  C2x C    24.2942  -28.8981
            18  C1x C    23.1073  -26.8633
            19  O7a O    30.1241  -22.7060
            20  C5x C    23.1132  -28.2199
            21  O5x O    21.9028  -28.9216
            22  C7a C    31.3241  -22.0068
            23  C1b C    32.5383  -22.7015
            24  O6a O    31.3185  -20.6170
            25  C1b C    33.7162  -22.0153
            26  C1b C    34.9228  -22.7060
            27  C1b C    36.1045  -22.0176
            28  C1b C    37.3324  -22.7500
            29  C1b C    38.5449  -22.0500
            30  C1b C    39.7573  -22.7500
            31  C1b C    40.9697  -22.0500
            32  C1b C    42.1822  -22.7500
            33  C1a C    43.3946  -22.0500
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 2
            17   11  18 1
            18   14  19 1 #Up
            19   17  20 1
            20   20  21 2
            21    7  13 1
            22    9  10 1
            23   14  16 1
            24   18  20 1
            25   19  22 1
            26   22  24 2
            27   26  27 1
            28   22  23 1
            29   23  25 1
            30   25  26 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1

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