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

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