KEGG   DRUG: TrimegestoneHelp
Entry
D06235                      Drug                                   

Name
Trimegestone (USAN/INN)
Formula
C22H30O3
Exact mass
342.2195
Mol weight
342.4718
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive, Replenisher (progesterone)
Comment
Progestin
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)
     D06235  Trimegestone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 74513-62-5
PubChem: 47207893
ChEMBL: CHEMBL2104765
LigandBox: D06235
NIKKAJI: J431.775K
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1x C    22.6100  -20.5100
            2   C5x C    22.6100  -21.9100
            3   C2x C    23.8000  -22.6100
            4   C2y C    24.9900  -21.9100
            5   C2y C    24.9900  -20.5100
            6   C1x C    23.8000  -19.8100
            7   C1x C    26.2500  -22.6100
            8   C1x C    27.4400  -21.9100
            9   C1y C    27.4400  -20.5100
            10  C2y C    26.2500  -19.8100
            11  C1y C    28.6300  -19.8100
            12  C1z C    28.6300  -18.4800
            13  C1x C    27.4400  -17.7800
            14  C1x C    26.2500  -18.4800
            15  O5x O    21.4200  -22.6100
            16  C1a C    28.6300  -17.0800
            17  C1x C    31.0549  -19.8100
            18  C1x C    31.0549  -18.4800
            19  C1z C    29.8424  -17.7800
            20  C5a C    29.8424  -16.3802
            21  O5a O    28.6132  -15.6703
            22  C1c C    31.0380  -15.6898
            23  C1a C    32.2252  -16.3752
            24  O1a O    31.0382  -14.2803
            25  C1a C    31.1097  -17.2352
BOND        28
            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    2  15 2
            18   12  16 1 #Up
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   12  19 1
            23   19  20 1 #Up
            24   20  21 2
            25   20  22 1
            26   22  23 1
            27   22  24 1 #Up
            28   19  25 1 #Down

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