KEGG   DRUG: Testosterone ketolaurateHelp
Entry
D06085                      Drug                                   

Name
Testosterone ketolaurate (USAN/INN)
Formula
C31H48O4
Exact mass
484.3553
Mol weight
484.7104
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
 DG02006  Testosterone
Enzyme substrate
 DG01633  CYP3A substrate
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
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
      D06085  Testosterone ketolaurate (USAN/INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   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)
BRITE hierarchy
Other DBs
CAS: 5874-98-6
PubChem: 47207743
ChEMBL: CHEMBL1697795
DrugBank: DB00624
LigandBox: D06085
NIKKAJI: J8.301A
LinkDB All DBs
KCF data Show

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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