KEGG   DRUG: Demegestone
Entry
D07223                      Drug                                   
Name
Demegestone (INN)
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.44
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
ATC code: G03DB05
Efficacy
Anti-endometriosis, Menstruation disorder agent, Progesterone receptor agonist
Comment
Progestin, pregnadiene derivative
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
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)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D07223  Demegestone
  DG01666  Progesterone receptor agonist
   D07223  Demegestone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D07223  Demegestone (INN)
Other DBs
CAS: 10116-22-0
PubChem: 51091561
LigandBox: D07223
NIKKAJI: J8.981H
LinkDB
KCF data

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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