KEGG   DRUG: Segesterone acetateHelp
Entry
D10986                      Drug                                   

Name
Segesterone acetate (USAN);
Nestorone (TN)
Formula
C23H30O4
Exact mass
370.2144
Mol weight
370.4819
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02828
Efficacy
Contraceptive, Replenisher (progesterone), Progesterone receptor agonist
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D10986  Segesterone acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 7759-35-5
PubChem: 342581827
ChEMBL: CHEMBL3707377
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    19.2797  -17.5404
            2   C1y C    18.0939  -16.8672
            3   C1y C    20.4534  -16.8548
            4   C1x C    19.2550  -18.8869
            5   C1y C    16.9327  -17.5529
            6   C1x C    18.0877  -15.5083
            7   C1z C    20.4534  -15.4959
            8   C1x C    22.8131  -16.8610
            9   C1x C    18.1063  -19.5664
            10  C2y C    16.9327  -18.8994
            11  C1x C    15.7654  -16.8858
            12  C1x C    19.2675  -14.8228
            13  C1z C    21.6455  -14.8165
            14  C2y C    22.8191  -15.5022
            15  C2x C    15.7654  -19.5788
            16  C1x C    14.6164  -17.5529
            17  C5a C    21.6455  -13.4823
            18  C5x C    14.6164  -18.8994
            19  C1a C    22.8006  -12.8277
            20  C1a C    20.4534  -14.0120
            21  O5x O    13.3209  -19.6386
            22  O5a O    20.3414  -12.7229
            23  C2a C    23.9391  -15.5022
            24  O7a O    23.4680  -13.7123
            25  C7a C    24.8680  -13.7123
            26  O6a O    25.5667  -14.9226
            27  C1a C    25.5601  -12.5134
BOND        30
            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    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 2
            15   11  16 1
            16   13  17 1 #Up
            17   15  18 1
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23    7  20 1 #Up
            24   18  21 2
            25   17  22 2
            26   14  23 2
            27   13  24 1 #Down
            28   24  25 1
            29   25  26 2
            30   25  27 1

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