KEGG   DRUG: Allylestrenol
Entry
D01374                      Drug                                   
Name
Allylestrenol (JAN/INN);
Perselin (TN)
Formula
C21H32O
Exact mass
300.2453
Mol weight
300.4782
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
Same as: C12811
ATC code: G03DC01
Efficacy
Prostatic hyperplasia treatment, Progesterone receptor agonist
Comment
Estrene 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
    G03DC Estren derivatives
     G03DC01 Allylestrenol
      D01374  Allylestrenol (JAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D01374  Allylestrenol
  DG01666  Progesterone receptor agonist
   D01374  Allylestrenol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D01374  Allylestrenol (JAN/INN)
Other DBs
CAS: 432-60-0
PubChem: 7848437
ChEBI: 31189
LigandBox: D01374
NIKKAJI: J2.042G
KCF data

ATOM        22
            1   C1x C    12.1800  -11.1300
            2   C1x C    12.1800  -12.5300
            3   C2x C    13.3924  -13.2300
            4   C2y C    14.6049  -12.5300
            5   C1y C    14.6049  -11.1300
            6   C1x C    13.3924  -10.4300
            7   C1x C    15.8173  -13.2300
            8   C1x C    17.0297  -12.5300
            9   C1y C    17.0297  -11.1300
            10  C1y C    15.8173  -10.4300
            11  C1y C    18.2422  -10.4300
            12  C1z C    18.2422   -9.0300
            13  C1x C    17.0297   -8.3300
            14  C1x C    15.8173   -9.0300
            15  C1x C    20.6670  -10.4300
            16  C1x C    20.6670   -9.0300
            17  C1z C    19.4546   -8.3300
            18  C1a C    18.2422   -7.6300
            19  O1a O    19.4546   -6.9300
            20  C1b C    20.6711   -7.6277
            21  C2b C    21.8686   -8.3192
            22  C2a C    23.0549   -7.6343
BOND        25
            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 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23   17  20 1 #Down
            24   20  21 1
            25   21  22 2

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Ontology (3)   
   KEGG BRITE (3)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (13)   

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