KEGG   DRUG: Testosterone cypionate
Entry
D00957                      Drug                                   

Name
Testosterone cypionate (USP);
Depo-testosterone (TN)
Product
  Generic
TESTOSTERONE CYPIONATE (A-S Medication Solutions), TESTOSTERONE CYPIONATE (A-S Medication Solutions), TESTOSTERONE CYPIONATE (A-S Medication Solutions), TESTOSTERONE CYPIONATE (A-S Medication Solutions), TESTOSTERONE CYPIONATE (A-S Medication Solutions), TESTOSTERONE CYPIONATE (Actavis Pharma), TESTOSTERONE CYPIONATE (American Regent), TESTOSTERONE CYPIONATE (Asclemed USA), TESTOSTERONE CYPIONATE (Cipla USA), TESTOSTERONE CYPIONATE (Cipla USA), TESTOSTERONE CYPIONATE (Hospira), TESTOSTERONE CYPIONATE (Hospira), TESTOSTERONE CYPIONATE (Paddock Laboratories), TESTOSTERONE CYPIONATE (Paddock Laboratories), DEPO-TESTOSTERONE (Pharmacia and Upjohn Company LLC), DEPO-TESTOSTERONE (Pharmacia and Upjohn Company LLC), TESTOSTERONE CYPIONATE (Proficient Rx LP), TESTOSTERONE CYPIONATE (Proficient Rx LP), TESTOSTERONE CYPIONATE (Sun Pharmaceutical Industries), TESTOSTERONE CYPIONATE (West-Ward Pharmaceuticals Corp), TESTOSTERONE CYPIONATE (Wilshire Pharmaceuticals)
Formula
C27H40O3
Exact mass
412.2977
Mol weight
412.6047
Structure
Simcomp
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
Same as: C08156
ATC code: G03BA03
Chemical structure group: DG00460
Product (DG00460): D00075<US> D00957<US> D00958<JP/US> D06087<US>
Efficacy
Anabolic, Androgen receptor agonist
  Disease
Hypogonadotropic hypogonadism [DS:H00255]
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
      D00957  Testosterone cypionate (USP) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Testosterone
    D00957  Testosterone cypionate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00957  Testosterone cypionate (USP) <US>
Other DBs
CAS: 58-20-8
PubChem: 7848020
ChEBI: 9463
ChEMBL: CHEMBL1201101
DrugBank: DB00624
LigandBox: D00957
NIKKAJI: J22.726I
LinkDB
KCF data

ATOM        30
            1   C1y C    30.4139  -19.2522
            2   C1y C    29.2333  -18.5543
            3   C1y C    31.6119  -18.5776
            4   C1x C    30.4139  -20.6191
            5   C1z C    28.1165  -19.2349
            6   C1x C    29.2447  -17.1877
            7   C1z C    31.6119  -17.2051
            8   C1x C    33.9847  -18.5776
            9   C1x C    29.2217  -21.2937
            10  C2y C    28.1109  -20.6074
            11  C1x C    26.8604  -18.5486
            12  C1a C    28.1050  -17.8682
            13  C1x C    30.4370  -16.5189
            14  C1y C    32.7983  -16.5247
            15  C1a C    31.5945  -15.8268
            16  C1x C    33.9847  -17.2051
            17  C2x C    26.8604  -21.2878
            18  C1x C    25.6739  -19.2349
            19  O7a O    32.8566  -15.1521
            20  C5x C    25.6739  -20.6074
            21  C7a C    33.9731  -14.4600
            22  O5x O    24.4759  -21.2821
            23  C1b C    35.1538  -15.1464
            24  O6a O    33.9674  -13.0933
            25  C1b C    36.3401  -14.4541
            26  C1y C    37.5150  -15.1406
            27  C1x C    37.9534  -16.4684
            28  C1x C    39.3492  -16.4679
            29  C1x C    39.7801  -15.1403
            30  C1x C    38.6506  -14.3202
BOND        34
            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   19  21 1
            21   20  22 2
            22   21  23 1
            23   21  24 2
            24   23  25 1
            25   25  26 1
            26    7  13 1
            27    9  10 1
            28   14  16 1
            29   18  20 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   26  30 1

» Japanese version   » Back

KEGG   DRUG: Testosterone enanthate
Entry
D00958                      Drug                                   

Name
Testosterone enanthate (JP18/USP);
Delatestryl (TN)
Product
  Generic
Formula
C26H40O3
Exact mass
400.2977
Mol weight
400.594
Structure
Simcomp
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
Same as: C08157
Therapeutic category: 2461
ATC code: G03BA03
Chemical structure group: DG00460
Product (DG00460): D00075<US> D00957<US> D00958<JP/US> D06087<US>
Product (mixture): D04454<JP>
Efficacy
Replenisher (androgen), Androgen receptor agonist
  Disease
Hypogonadotropic hypogonadism [DS:H00255]
Mmmary cancer [DS:H00031]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
hsa05200  Pathways in cancer
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
      D00958  Testosterone enanthate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Testosterone
    D00958  Testosterone enanthate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   246  Androgen preparations
    2461  Testosterones
     D00958  Testosterone enanthate (JP18/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00958  Testosterone enanthate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00958  Testosterone enanthate
  D00958  Testosterone enanthate injection
Other DBs
CAS: 315-37-7
PubChem: 7848021
ChEBI: 9464
ChEMBL: CHEMBL1200335
DrugBank: DB00624
LigandBox: D00958
NIKKAJI: J5.664B
LinkDB
KCF data

ATOM        29
            1   C1y C    26.1130  -18.9388
            2   C1y C    24.9295  -18.2800
            3   C1y C    27.2674  -18.2683
            4   C1x C    26.1188  -20.2914
            5   C1z C    23.7693  -18.9562
            6   C1x C    24.9238  -16.9333
            7   C1z C    27.3257  -16.9274
            8   C1x C    29.6285  -18.2683
            9   C1x C    24.9469  -20.9851
            10  C2y C    23.7868  -20.3088
            11  C1x C    22.6032  -18.2916
            12  C1a C    23.7634  -17.6153
            13  C1x C    26.0897  -16.2570
            14  C1y C    28.4333  -16.2337
            15  C1a C    27.3140  -15.5165
            16  C1x C    29.6111  -16.9157
            17  C2x C    22.6149  -20.9967
            18  C1x C    21.4315  -18.9679
            19  O7a O    28.4276  -14.8228
            20  C5x C    21.4374  -20.3205
            21  O5x O    20.2306  -21.0201
            22  C7a C    29.6241  -14.1257
            23  C1b C    30.8347  -14.8183
            24  O6a O    29.6185  -12.7400
            25  C1b C    32.0091  -14.1342
            26  C1b C    33.2122  -14.8228
            27  C1b C    34.3904  -14.1365
            28  C1b C    35.5915  -14.8241
            29  C1a C    36.7709  -14.1373
BOND        32
            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  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

» Japanese version   » Back

KEGG   DRUG: Testosterone propionate
Entry
D00959                      Drug                                   

Name
Testosterone propionate (JP18/USP);
Testex (TN)
Formula
C22H32O3
Exact mass
344.2351
Mol weight
344.4877
Structure
Simcomp
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
Same as: C08158
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
      D00959  Testosterone propionate (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Testosterone propionate
    D00959  Testosterone propionate (JP18/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00959  Testosterone propionate (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00959  Testosterone propionate
  D00959  Testosterone propionate injection
Other DBs
CAS: 57-85-2
PubChem: 7848022
ChEBI: 9466
ChEMBL: CHEMBL1170 CHEMBL308534
DrugBank: DB00624 DB01420
LigandBox: D00959
NIKKAJI: J4.584E
LinkDB
KCF data

ATOM        25
            1   C1y C    23.7350  -19.3088
            2   C1y C    24.9083  -19.9976
            3   C1z C    22.5442  -19.9859
            4   C1x C    23.7466  -17.9427
            5   C1y C    26.0934  -19.3204
            6   C1x C    24.9083  -21.3696
            7   C2y C    22.5382  -21.3636
            8   C1x C    21.3591  -19.3030
            9   C1a C    22.5325  -18.6199
            10  C1x C    24.9317  -17.2715
            11  C1z C    26.1108  -17.9544
            12  C1x C    28.4634  -19.3497
            13  C1x C    23.7233  -22.0525
            14  C2x C    21.3591  -22.0467
            15  C1x C    20.1798  -19.9859
            16  C1y C    27.2958  -17.2832
            17  C1a C    26.1050  -16.5767
            18  C1x C    28.4809  -17.9778
            19  C5x C    20.1798  -21.3636
            20  O7a O    27.3075  -15.9112
            21  O5x O    18.9831  -22.0408
            22  C7a C    28.4926  -15.2283
            23  C1b C    29.6776  -15.9112
            24  O6a O    28.4809  -13.8623
            25  C1a C    30.8510  -15.2283
BOND        28
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1
            18   14  19 1
            19   16  20 1 #Up
            20   19  21 2
            21   20  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25    7  13 1
            26   10  11 1
            27   15  19 1
            28   16  18 1

» Japanese version   » Back

KEGG   DRUG: Testosterone ketolaurate
Entry
D06085                      Drug                                   

Name
Testosterone ketolaurate (USAN/INN)
Formula
C31H48O4
Exact mass
484.3553
Mol weight
484.7104
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
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
      D06085  Testosterone ketolaurate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D06085  Testosterone ketolaurate (USAN/INN)
Other DBs
CAS: 5874-98-6
PubChem: 47207743
ChEMBL: CHEMBL1697795
DrugBank: DB00624
LigandBox: D06085
NIKKAJI: J8.301A
LinkDB
KCF data

ATOM        35
            1   C1y C    27.2739  -21.7998
            2   C1y C    26.1074  -21.1504
            3   C1y C    28.4804  -21.1389
            4   C1x C    27.2796  -23.1330
            5   C1z C    24.9638  -21.8170
            6   C1x C    26.1017  -19.8230
            7   C1z C    28.4692  -19.8172
            8   C1x C    30.7390  -21.1389
            9   C1x C    26.1245  -23.8168
            10  C2y C    24.9810  -23.1502
            11  C1x C    23.8144  -21.1619
            12  C1a C    24.9579  -20.4953
            13  C1x C    27.2509  -19.1565
            14  C1y C    29.5610  -19.1335
            15  C1a C    28.4577  -18.4266
            16  C1x C    30.7219  -19.8057
            17  C2x C    23.8260  -23.8282
            18  C1x C    22.6595  -21.8285
            19  O7a O    29.5554  -17.7428
            20  C5x C    22.6653  -23.1617
            21  O5x O    21.4758  -23.8513
            22  C7a C    30.7347  -17.0558
            23  C1b C    31.9279  -17.7384
            24  O6a O    30.7292  -15.6898
            25  C5a C    33.0855  -17.0641
            26  C1b C    34.3401  -17.7428
            27  C1b C    35.5014  -17.0664
            28  O5a O    33.0804  -15.7132
            29  C1b C    36.7024  -17.7800
            30  C1b C    37.9149  -17.0800
            31  C1b C    39.1273  -17.7800
            32  C1b C    40.3397  -17.0800
            33  C1b C    41.5522  -17.7800
            34  C1b C    42.7646  -17.0800
            35  C1a C    43.9770  -17.7800
BOND        38
            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  23 1
            27   22  24 2
            28   23  25 1
            29   25  28 2
            30   25  26 1
            31   26  27 1
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1

» Japanese version   » Back

KEGG   DRUG: Testosterone phenylacetate
Entry
D06086                      Drug                                   

Name
Testosterone phenylacetate (USAN)
Formula
C27H34O3
Exact mass
406.2508
Mol weight
406.5571
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
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
      D06086  Testosterone phenylacetate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D06086  Testosterone phenylacetate (USAN)
Other DBs
CAS: 5704-03-0
PubChem: 47207744
ChEMBL: CHEMBL1697796
LigandBox: D06086
LinkDB
KCF data

ATOM        30
            1   C1y C    26.1130  -18.9388
            2   C1y C    24.9295  -18.2800
            3   C1y C    27.2674  -18.2683
            4   C1x C    26.1188  -20.2914
            5   C1z C    23.7693  -18.9562
            6   C1x C    24.9238  -16.9333
            7   C1z C    27.3257  -16.9274
            8   C1x C    29.6285  -18.2683
            9   C1x C    24.9469  -20.9851
            10  C2y C    23.7868  -20.3088
            11  C1x C    22.6032  -18.2916
            12  C1a C    23.7634  -17.6153
            13  C1x C    26.0897  -16.2570
            14  C1y C    28.4333  -16.2337
            15  C1a C    27.3140  -15.5165
            16  C1x C    29.6111  -16.9157
            17  C2x C    22.6149  -20.9967
            18  C1x C    21.4315  -18.9679
            19  O7a O    28.4276  -14.8228
            20  C5x C    21.4374  -20.3205
            21  O5x O    20.2306  -21.0201
            22  C7a C    29.6241  -14.1257
            23  C1b C    30.8347  -14.8183
            24  O6a O    29.6185  -12.7400
            25  C8y C    32.0091  -14.1342
            26  C8x C    33.2122  -14.8228
            27  C8x C    34.4220  -14.1182
            28  C8x C    34.4167  -12.7182
            29  C8x C    33.2136  -12.0296
            30  C8x C    32.0038  -12.7342
BOND        34
            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  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   25  30 1

» Japanese version   » Back

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

» Japanese version   » Back

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
Other
 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
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08573  Testosterone decanoate
Other DBs
CAS: 5721-91-5
PubChem: 96025257
ChEBI: 35000
ChEMBL: CHEMBL1473654
LigandBox: D08573
NIKKAJI: J225.117E
LinkDB
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

» Japanese version   » Back

KEGG   DRUG: Testosterone phenylpropionate
Entry
D08574                      Drug                                   

Name
Testosterone phenylpropionate;
Testosterone 17beta-phenpropionate;
Testanon 50 (TN)
Formula
C28H36O3
Exact mass
420.2664
Mol weight
420.5836
Structure
Simcomp
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Remark
Same as: C14667
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
      D08574  Testosterone phenylpropionate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08574  Testosterone phenylpropionate
Other DBs
CAS: 1255-49-8
PubChem: 96025258
ChEBI: 35002
ChEMBL: CHEMBL2356993
LigandBox: D08574
NIKKAJI: J61.332K
LinkDB
KCF data

ATOM        31
            1   C1x C    17.6400  -20.0200
            2   C5x C    17.6400  -21.3500
            3   C2x C    18.8300  -22.0500
            4   C2y C    20.0200  -21.3500
            5   C1z C    20.0200  -20.0200
            6   C1x C    18.8300  -19.3200
            7   C1x C    21.2100  -22.0500
            8   C1x C    22.3300  -21.3500
            9   C1y C    22.3300  -20.0200
            10  C1y C    21.2100  -19.3200
            11  C1y C    23.5200  -19.3200
            12  C1z C    23.5200  -17.9200
            13  C1x C    22.3300  -17.2900
            14  C1x C    21.2100  -17.9200
            15  C1x C    25.9000  -19.3200
            16  C1x C    25.9000  -17.9200
            17  C1y C    24.7100  -17.2900
            18  C1a C    23.5900  -16.5900
            19  O7a O    24.7100  -15.8900
            20  C1a C    20.0200  -18.6200
            21  O5x O    16.4500  -22.0500
            22  C7a C    25.9700  -15.1900
            23  C1b C    27.1600  -15.8900
            24  O6a O    25.9700  -13.7900
            25  C1b C    28.3500  -15.1900
            26  C8y C    29.5400  -15.8900
            27  C8x C    29.5400  -17.2900
            28  C8x C    30.7300  -17.9900
            29  C8x C    31.9200  -17.2900
            30  C8x C    31.9200  -15.8900
            31  C8x C    30.7300  -15.1900
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    5  20 1 #Up
            24    2  21 2
            25   19  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   26  31 1

» Japanese version   » Back

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