KEGG   DRUG: TigestolHelp
Entry
D06145                      Drug                                   

Name
Tigestol (USAN/INN)
Formula
C20H28O
Exact mass
284.214
Mol weight
284.4357
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
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)
     D06145  Tigestol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 896-71-9
PubChem: 47207803
ChEMBL: CHEMBL2105440
LigandBox: D06145
NIKKAJI: J7.160I
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    26.5293  -18.3391
            2   C1x C    26.5293  -19.7391
            3   C1x C    27.7417  -20.4390
            4   C2y C    28.9541  -19.7391
            5   C2y C    28.9541  -18.3391
            6   C1x C    27.7417  -17.6392
            7   C1x C    30.1665  -20.4390
            8   C1x C    31.3788  -19.7391
            9   C1y C    31.3788  -18.3391
            10  C1y C    30.1665  -17.6392
            11  C1y C    32.5913  -17.6392
            12  C1z C    32.5913  -16.2392
            13  C1x C    31.3788  -15.5393
            14  C1x C    30.1665  -16.2392
            15  C1a C    32.5913  -14.8393
            16  C1x C    35.0161  -17.6392
            17  C1x C    35.0161  -16.2392
            18  C1z C    33.8037  -15.5392
            19  O1a O    33.8037  -13.8600
            20  C3b C    35.0161  -14.8392
            21  C3a C    36.2286  -14.1392
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            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   12  15 1 #Up
            18   11  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   18  19 1 #Up
            23   18  20 1 #Down
            24   20  21 3

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