KEGG   DRUG: Testosterone decanoateHelp
Entry
D08573                      Drug                                   

Name
Testosterone decanoate;
Testosterone 17beta-decanoate;
Testocaps (TN)
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.6737
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Enzyme substrate
 DG01633  CYP3A substrate
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
Drug 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
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Testosterone
    D08573  Testosterone decanoate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08573  Testosterone decanoate
BRITE hierarchy
Other DBs
CAS: 5721-91-5
PubChem: 96025257
ChEBI: 35000
ChEMBL: CHEMBL1473654
LigandBox: D08573
NIKKAJI: J225.117E
LinkDB All DBs
KCF data Show

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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