KEGG   DRUG: OnapristoneHelp
Entry
D09571                      Drug                                   

Name
Onapristone (INN)
Formula
C29H39NO3
Exact mass
449.293
Mol weight
449.6249
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01667  Progesterone receptor antagonist
Efficacy
Antineoplastic, Progesterone receptor antagonist
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04914  Progesterone-mediated oocyte maturation
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
    NR3C3 (PGR)
     D09571  Onapristone (INN)
BRITE hierarchy
Other DBs
CAS: 96346-61-1
PubChem: 124490311
ChEMBL: CHEMBL1908373
LigandBox: D09571
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    21.5632  -22.9290
            2   C2y C    21.5632  -24.3073
            3   C1y C    22.7347  -24.9964
            4   C1y C    23.9752  -24.3073
            5   C1z C    23.9752  -22.9290
            6   C1x C    22.7347  -22.2398
            7   C1x C    26.3183  -24.3073
            8   C1x C    26.3183  -22.9290
            9   C1z C    25.1468  -22.2398
            10  C2y C    20.3917  -24.9964
            11  C2y C    20.3917  -26.3747
            12  C1x C    21.5632  -27.0639
            13  C1x C    22.7347  -26.3747
            14  C1x C    19.1512  -24.3073
            15  C1x C    17.9796  -24.9964
            16  C5x C    17.9796  -26.3747
            17  C2x C    19.1512  -27.0639
            18  C8y C    20.3917  -22.2398
            19  C8x C    20.3917  -20.8616
            20  C8x C    19.1512  -20.1724
            21  C8y C    17.9796  -20.8616
            22  C8x C    17.9796  -22.2398
            23  C8x C    19.1512  -22.9290
            24  N1c N    16.8081  -20.1724
            25  C1a C    15.6365  -20.8616
            26  C1a C    16.8081  -18.7941
            27  O5x O    16.8081  -27.0639
            28  C1a C    23.9752  -21.5507
            29  O1a O    25.1468  -20.8616
            30  C1b C    26.3183  -21.5507
            31  C1b C    27.4898  -22.2398
            32  C1b C    28.6614  -21.5507
            33  O1a O    29.8329  -22.2398
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            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    5   9 1
            11    2  10 2
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    3  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 2
            21    1  18 1 #Up
            22   18  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   18  23 1
            28   21  24 1
            29   24  25 1
            30   24  26 1
            31   16  27 2
            32    5  28 1 #Down
            33    9  29 1 #Down
            34   30  31 1
            35    9  30 1 #Up
            36   31  32 1
            37   32  33 1

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