KEGG   DRUG: Megestrol
Entry
D08167                      Drug                                   
Name
Megestrol (INN);
Chronopil (TN)
Formula
C22H30O3
Exact mass
342.2195
Mol weight
342.4718
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
Same as: C07120
ATC code: G03AC05 G03DB02 L02AB01
Chemical structure group: DG00457
Product (DG00457): D00952<US>
Efficacy
Antineoplastic, Contraceptive, Progesterone receptor agonist
Comment
Progestin
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
   G03A HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
    G03AC Progestogens
     G03AC05 Megestrol
      D08167  Megestrol (INN)
   G03D PROGESTOGENS
    G03DB Pregnadien derivatives
     G03DB02 Megestrol
      D08167  Megestrol (INN)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AB Progestogens
     L02AB01 Megestrol
      D08167  Megestrol (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00457  Megestrol
    D08167  Megestrol
  DG01666  Progesterone receptor agonist
   DG00457  Megestrol
    D08167  Megestrol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D08167  Megestrol (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00457  Megestrol
  DG01666  Progesterone receptor agonist
   DG00457  Megestrol
Other DBs
CAS: 3562-63-8
PubChem: 96024857
ChEBI: 6722
LigandBox: D08167
NIKKAJI: J14.548C
KCF data

ATOM        25
            1   C1y C    25.3400  -18.7600
            2   C1y C    26.5300  -18.0600
            3   C1y C    24.1500  -18.0600
            4   C2x C    25.3400  -20.1600
            5   C1z C    26.5300  -16.7300
            6   C1x C    28.9100  -18.1300
            7   C1z C    22.9600  -18.7600
            8   C1x C    24.1500  -16.6600
            9   C2y C    24.1500  -20.7900
            10  C1z C    27.7200  -16.0300
            11  C1x C    25.3400  -16.0300
            12  C1a C    26.6000  -15.4700
            13  C1x C    28.9100  -16.7300
            14  C2y C    22.9600  -20.0900
            15  C1x C    21.7700  -18.0600
            16  C1a C    23.0300  -17.5000
            17  C1a C    24.1500  -22.1900
            18  C5a C    27.7200  -14.6300
            19  O1a O    28.9800  -15.1900
            20  C2x C    21.7700  -20.7900
            21  C1x C    20.5800  -18.7600
            22  C1a C    26.6000  -13.9300
            23  O5a O    28.8400  -13.7200
            24  C5x C    20.5800  -20.0900
            25  O5x O    19.3900  -20.7900
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    9  17 1
            17   10  18 1 #Up
            18   10  19 1 #Down
            19   14  20 2
            20   15  21 1
            21   18  22 1
            22   18  23 2
            23   20  24 1
            24   24  25 2
            25    8  11 1
            26    9  14 1
            27   10  13 1
            28   21  24 1

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