KEGG   DRUG: D02996Help
Entry
D02996                      Drug                                   

Name
Asoprisnil (USAN/INN)
Formula
C28H35NO4
Exact mass
449.2566
Mol weight
449.5818
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of endometriosis and uterine fibroids;
Possible adjunct to hormone replacement therapy
Comment
Selective progesterone receptor modulator
Target
progesterone receptor agonist/antagonist [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation  
 
Structure map
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    progesterone receptor [HSA:5241] [KO:K08556]
     Asoprisnil
      D02996  Asoprisnil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
199396-76-4
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2y C    28.3389  -18.0465
            2   C1y C    29.4579  -18.7458
            3   C1y C    28.3389  -16.6477
            4   C2y C    27.0800  -18.7458
            5   C1y C    30.7169  -18.0465
            6   C1x C    29.4579  -20.0747
            7   C1x C    29.5279  -16.0182
            8   C8y C    27.1499  -15.9483
            9   C2y C    27.0800  -20.0747
            10  C1x C    25.9610  -18.0465
            11  C1z C    30.7168  -16.7176
            12  C1x C    28.2690  -20.7741
            13  C8x C    27.1499  -14.6194
            14  C8x C    25.9610  -16.6477
            15  C2x C    25.9610  -20.7741
            16  C1x C    24.7720  -18.7458
            17  C8x C    25.9610  -13.9201
            18  C8x C    24.7720  -15.9483
            19  C5x C    24.7720  -20.0747
            20  C8y C    24.7720  -14.6194
            21  O5x O    23.5830  -20.7741
            22  C1a C    30.7168  -15.0391
            23  C1x C    33.0248  -18.0465
            24  C1x C    33.0248  -16.7176
            25  C1z C    31.9058  -16.0882
            26  O2a O    31.9058  -14.7593
            27  C2b C    23.5578  -13.9249
            28  N2b N    22.3704  -14.6174
            29  O1b O    21.1827  -13.9385
            30  C1a C    30.6967  -14.0892
            31  C1b C    33.1182  -15.3882
            32  O2a O    34.5182  -15.3882
            33  C1a C    35.2110  -14.1881
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   6 1
            5     3   7 1
            6     3   8 1 #Up
            7     4   9 1
            8     4  10 1
            9     6  12 1
            10    8  13 2
            11    8  14 1
            12    9  15 2
            13   10  16 1
            14   13  17 1
            15   14  18 2
            16   15  19 1
            17   17  20 2
            18   19  21 2
            19    7  11 1
            20    9  12 1
            21   16  19 1
            22   18  20 1
            23   11  22 1 #Up
            24   23  24 1
            25   24  25 1
            26   11  25 1
            27   25  26 1 #Up
            28    5  11 1
            29    5  23 1
            30    2   5 1
            31   20  27 1
            32   27  28 2
            33   28  29 1
            34   26  30 1
            35   25  31 1 #Down
            36   31  32 1
            37   32  33 1

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