KEGG   DRUG: OxendoloneHelp
Entry
D01329                      Drug                                   

Name
Oxendolone (JAN/USAN/INN);
Prostetin (TN)
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Efficacy
Antidysuria, Androgen receptor antagonist
Comment
Anti-androgen (benign prostatic hypertrophy)
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D01329  Oxendolone (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 33765-68-3
PubChem: 7848392
ChEBI: 31946
ChEMBL: CHEMBL513856
LigandBox: D01329
NIKKAJI: J3.493B
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1x C    20.3611  -18.0591
            2   C5x C    20.3611  -19.4272
            3   C2x C    21.5489  -20.1113
            4   C1x C    21.5489  -17.3750
            5   C1y C    22.7296  -18.0591
            6   C2y C    22.7238  -19.4272
            7   C1x C    23.9058  -20.1163
            8   C1x C    25.0935  -19.4374
            9   C1y C    23.9175  -17.3799
            10  C1y C    25.0937  -18.0720
            11  C1x C    25.1161  -15.3428
            12  C1x C    23.9287  -16.0154
            13  C1z C    26.2922  -16.0348
            14  C1y C    26.3458  -17.3952
            15  C1x C    28.6321  -17.4237
            16  C1y C    28.6486  -16.0633
            17  C1y C    27.4786  -15.3688
            18  O1a O    27.4952  -14.0008
            19  C1a C    26.3531  -14.6661
            20  O5x O    19.1767  -20.1118
            21  C1b C    29.8417  -15.3937
            22  C1a C    31.0182  -16.0920
BOND        25
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 2
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8    13  14 1
            9    15  16 1
            10   16  17 1
            11   17  13 1
            12   14  15 1
            13    8  10 1
            14   17  18 1 #Up
            15    9   5 1
            16   13  19 1 #Up
            17    5   4 1
            18    4   1 1
            19    1   2 1
            20    2  20 2
            21    9  10 1
            22   16  21 1 #Up
            23   10  14 1
            24   21  22 1
            25   13  11 1

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