KEGG   DRUG: TosagestinHelp
Entry
D06197                      Drug                                   

Name
Tosagestin (USAN/INN)
Formula
C21H24O2
Exact mass
308.1776
Mol weight
308.4141
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
Comment
progestin
Hormonal contraception, Hormone replacement therapy
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)
     D06197  Tosagestin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 110072-15-6
PubChem: 47207855
ChEMBL: CHEMBL2107658
LigandBox: D06197
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    27.5730  -18.6322
            2   C5x C    27.5730  -19.9904
            3   C2x C    28.7492  -20.6695
            4   C2y C    29.9255  -19.9904
            5   C1y C    29.9255  -18.6322
            6   C1x C    28.7492  -17.9530
            7   C1x C    31.1017  -20.6695
            8   C1x C    32.2780  -19.9904
            9   C1y C    32.2780  -18.6322
            10  C1y C    31.1017  -17.9530
            11  C1y C    33.4543  -17.9530
            12  C1z C    33.4543  -16.5949
            13  C1x C    32.2780  -15.9158
            14  C2y C    31.1017  -16.5949
            15  O5x O    26.3968  -20.6695
            16  C1a C    33.4543  -15.2367
            17  C2a C    29.9275  -15.9169
            18  C2x C    35.8118  -17.9530
            19  C2x C    35.8118  -16.5949
            20  C1z C    34.6330  -15.9143
            21  O1a O    34.6324  -14.3112
            22  C3b C    35.8118  -15.2338
            23  C3a C    36.9905  -14.5532
BOND        26
            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 1
            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   14  17 2
            20   11  18 1
            21   18  19 2
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up
            25   20  22 1 #Down
            26   22  23 3

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