KEGG   DRUG: LonaprisanHelp
Entry
D10016                      Drug                                   

Name
Lonaprisan (USAN/INN)
Formula
C28H29F5O3
Exact mass
508.2037
Mol weight
508.5201
Structure
Mol fileKCF fileDB search
Class
Other
 DG01667  Progesterone receptor antagonist
Efficacy
Antineoplastic, Progesterone receptor antagonist
Comment
Treatment of progesterone receptor positive breast cancer
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D10016  Lonaprisan (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 211254-73-8
PubChem: 135626737
ChEMBL: CHEMBL146032
LigandBox: D10016
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1x C    15.0435  -18.2672
            2   C5x C    15.0435  -19.6456
            3   C2x C    16.2151  -20.3348
            4   C2y C    17.4557  -19.6456
            5   C2y C    17.4557  -18.2672
            6   C1x C    16.2151  -17.5780
            7   C1x C    18.6273  -20.3348
            8   C1x C    19.7989  -19.6456
            9   C1y C    19.7989  -18.2672
            10  C2y C    18.6273  -17.5780
            11  C1y C    21.0394  -17.5780
            12  C1z C    21.0394  -16.1997
            13  C1x C    19.7989  -15.5105
            14  C1y C    18.6273  -16.1997
            15  C1x C    23.3826  -17.5780
            16  C1x C    23.3826  -16.1997
            17  C1z C    22.2110  -15.5105
            18  O1a O    22.2110  -13.8521
            19  C1d C    23.3826  -14.8213
            20  X   F    24.5542  -15.5105
            21  C1d C    23.3826  -13.4430
            22  X   F    24.5763  -14.1321
            23  X   F    24.5763  -12.7538
            24  X   F    22.1890  -12.7538
            25  X   F    23.3826  -12.0647
            26  C8y C    17.4308  -15.5153
            27  C8x C    17.4251  -14.1324
            28  C8x C    16.2285  -13.4482
            29  C8y C    15.0377  -14.1423
            30  C8x C    15.0434  -15.5252
            31  C8x C    16.2400  -16.2094
            32  C5a C    13.8412  -13.4581
            33  C1a C    12.6799  -14.1350
            34  O5a O    13.8340  -12.0652
            35  O5x O    13.8470  -20.3300
            36  C1a C    21.0394  -14.8213
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 2
            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    9  10 1
            11    5  10 2
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   19  20 1
            23   17  19 1 #Down
            24   19  21 1
            25   19  22 1
            26   21  23 1
            27   21  24 1
            28   21  25 1
            29   14  26 1 #Up
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   26  31 1
            36   29  32 1
            37   32  33 1
            38   32  34 2
            39    2  35 2
            40   12  36 1 #Up

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