KEGG   DRUG: Promestriene
Entry
D07221                      Drug                                   
Name
Promestriene (INN);
Colpotrophine (TN)
Formula
C22H32O2
Exact mass
328.2402
Mol weight
328.4883
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA09
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
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
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA09 Promestriene
      D07221  Promestriene (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   D07221  Promestriene
  DG01584  Estrogen receptor agonist
   D07221  Promestriene
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07221  Promestriene (INN)
Other DBs
CAS: 39219-28-8
PubChem: 51091559
LigandBox: D07221
NIKKAJI: J15.809G
LinkDB
KCF data

ATOM        24
            1   C1z C    31.0291  -17.7768
            2   C1y C    31.0291  -19.1426
            3   C1x C    33.3949  -19.1426
            4   C1x C    33.3949  -17.7768
            5   C1y C    32.2119  -17.0938
            6   C1x C    29.8462  -17.0938
            7   C1x C    28.6633  -17.7768
            8   C1y C    28.6633  -19.1426
            9   C1y C    29.8462  -19.8256
            10  C8y C    27.4805  -19.8256
            11  C8y C    27.4805  -21.1914
            12  C1x C    28.6633  -21.8744
            13  C1x C    29.8462  -21.1914
            14  C8x C    26.2976  -19.1426
            15  C8x C    25.1147  -19.8256
            16  C8y C    25.1147  -21.1914
            17  C8x C    26.2976  -21.8744
            18  O2a O    23.9047  -21.8744
            19  C1b C    22.7218  -21.1914
            20  C1b C    21.5389  -21.8744
            21  C1a C    20.3561  -21.1914
            22  O2a O    32.1800  -15.7280
            23  C1a C    33.3578  -15.0363
            24  C1a C    31.0291  -16.4109
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 2
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   17  11 2
            21   16  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25    5  22 1 #Up
            26   22  23 1
            27    1  24 1 #Up

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