KEGG   DRUG: DemegestoneHelp
Entry
D07223                      Drug                                   

Name
Demegestone (INN)
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Remark
ATC code: 
Activity
Anti-endometriosis, Menstruation disorder agent, Progesterone receptor agonist
Comment
Progestin, pregnadiene derivative
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
Oocyte meiosis
Progesterone-mediated oocyte maturation
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DB Pregnadien derivatives
     G03DB05 Demegestone
      D07223  Demegestone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    progesterone receptor
     Demegestone
      D07223  Demegestone (INN)
BRITE hierarchy
Other DBs
CAS: 
10116-22-0
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    22.7500  -20.4400
            2   C5x C    22.7500  -21.8400
            3   C2x C    23.9400  -22.5400
            4   C2y C    25.0600  -21.8400
            5   C2y C    25.0600  -20.4400
            6   C1x C    23.9400  -19.8100
            7   C1x C    26.3200  -22.5400
            8   C1x C    27.5100  -21.8400
            9   C1y C    27.5100  -20.4400
            10  C2y C    26.3200  -19.8100
            11  C1y C    28.7000  -19.8100
            12  C1z C    28.7000  -18.4800
            13  C1x C    27.5100  -17.7800
            14  C1x C    26.3200  -18.4800
            15  O5x O    21.5600  -22.5400
            16  C1a C    28.7000  -17.0800
            17  C1x C    31.0800  -19.8100
            18  C1x C    31.0800  -18.4800
            19  C1z C    29.8900  -17.7800
            20  C5a C    29.8900  -16.3800
            21  O5a O    28.6300  -15.6800
            22  C1a C    31.0800  -15.7500
            23  C1a C    31.1500  -17.2200
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 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   19  23 1 #Down

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