Etonogestrel


Entry
D04104                      Drug                                   
Name
Etonogestrel (USAN/INN);
Implanon (TN);
Nexplanon (TN)
Product
NEXPLANON (Organon LLC)
Formula
C22H28O2
Exact mass
324.2089
Mol weight
324.4565
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
ATC code: G03AC08
Product: D04104<US>
Product (mixture): D11655<US>
Efficacy
Contraceptive, Progesterone receptor agonist
Comment
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  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
     G03AC08 Etonogestrel
      D04104  Etonogestrel (USAN/INN) <US>
USP drug classification [BR:br08302]
 Contraceptives
  Contraceptives, Other
   Etonogestrel
    D04104  Etonogestrel (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D04104  Etonogestrel
  DG01666  Progesterone receptor agonist
   D04104  Etonogestrel
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG02004  Progesterone
   D04104  Etonogestrel
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D04104  Etonogestrel (USAN/INN) <US>
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D04104  Etonogestrel (USAN/INN) <US>
Other DBs
CAS: 54048-10-1
PubChem: 47206056
ChEBI: 50777
LigandBox: D04104
NIKKAJI: J76.212A
KCF data

ATOM        24
            1   C1y C    20.6893  -17.8182
            2   C1y C    21.8970  -17.1214
            3   C1y C    19.5278  -17.1214
            4   C1x C    20.6893  -19.1654
            5   C1z C    21.8970  -15.7740
            6   C1x C    24.2663  -17.1214
            7   C1y C    18.3200  -17.8182
            8   C2y C    19.5278  -15.7740
            9   C1x C    19.5278  -19.8623
            10  C1z C    23.1049  -15.1237
            11  C1x C    20.7357  -15.0772
            12  C1b C    21.8970  -14.3575
            13  C1x C    24.2663  -15.8205
            14  C2y C    18.3200  -19.1654
            15  C1x C    17.1585  -17.1214
            16  C3b C    24.2200  -14.3340
            17  O1a O    23.1049  -13.5899
            18  C2x C    17.1585  -19.8623
            19  C1x C    15.9507  -17.8182
            20  C3a C    25.3349  -13.5441
            21  C5x C    15.9507  -19.1654
            22  O5x O    14.7892  -19.8623
            23  C1a C    20.7067  -13.6345
            24  C2a C    18.3068  -15.0690
BOND        27
            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 1
            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   10  16 1 #Down
            16   10  17 1 #Up
            17   14  18 2
            18   15  19 1
            19   16  20 3
            20   18  21 1
            21   21  22 2
            22    8  11 1
            23    9  14 1
            24   10  13 1
            25   19  21 1
            26   12  23 1
            27    8  24 2