KEGG   DRUG: Testosterone decanoate
Entry
D08573                      Drug                                   
Name
Testosterone decanoate;
Testosterone 17beta-decanoate;
Testocaps (TN)
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.6737
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
Same as: C14607
ATC code: G03BA03
Chemical structure group: DG00460
Product (DG00460): D00075<US> D00957<US> D00958<JP/US> D06087<US>
Efficacy
Replenisher (androgen), Androgen receptor agonist
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
      D08573  Testosterone decanoate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG00460  Testosterone
    D08573  Testosterone decanoate
  DG02006  Testosterone
   DG00460  Testosterone
    D08573  Testosterone decanoate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08573  Testosterone decanoate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG00460  Testosterone
  DG02006  Testosterone
   DG00460  Testosterone
Other DBs
CAS: 5721-91-5
PubChem: 96025257
ChEBI: 35000
LigandBox: D08573
NIKKAJI: J225.117E
KCF data

ATOM        32
            1   C1x C    15.2600  -19.9500
            2   C5x C    15.2600  -21.3500
            3   C2x C    16.4500  -22.0500
            4   C2y C    17.6400  -21.3500
            5   C1z C    17.6400  -19.9500
            6   C1x C    16.4500  -19.3200
            7   C1x C    18.7600  -22.0500
            8   C1x C    19.9500  -21.3500
            9   C1y C    19.9500  -19.9500
            10  C1y C    18.7600  -19.3200
            11  C1y C    21.1400  -19.3200
            12  C1z C    21.1400  -17.9200
            13  C1x C    19.9500  -17.2200
            14  C1x C    18.7600  -17.9200
            15  C1x C    23.5200  -19.3200
            16  C1x C    23.5200  -17.9200
            17  C1y C    22.3300  -17.2200
            18  C1a C    21.2100  -16.5200
            19  O7a O    22.3300  -15.8900
            20  O5x O    14.0000  -22.0500
            21  C1a C    17.6400  -18.5500
            22  C7a C    23.5200  -15.1900
            23  C1b C    24.7100  -15.8900
            24  O6a O    23.5200  -13.7900
            25  C1b C    25.9700  -15.1900
            26  C1b C    27.0900  -15.8900
            27  C1b C    28.3500  -15.1900
            28  C1b C    29.5400  -15.8900
            29  C1b C    30.7300  -15.1900
            30  C1b C    31.9200  -15.8900
            31  C1b C    33.1100  -15.1900
            32  C1a C    34.3000  -15.8900
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 2
            24    5  21 1 #Up
            25   19  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1

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