KEGG   DRUG: Desogestrel
Entry
D02367                      Drug                                   
Name
Desogestrel (USAN/INN)
Formula
C22H30O
Exact mass
310.2297
Mol weight
310.473
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
Same as: C07629
ATC code: G03AC09
Product (mixture): D04484<JP/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
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
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
     G03AC09 Desogestrel
      D02367  Desogestrel (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D02367  Desogestrel
  DG01666  Progesterone receptor agonist
   D02367  Desogestrel
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D02367  Desogestrel (USAN/INN)
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D02367  Desogestrel (USAN/INN)
Other DBs
CAS: 54024-22-5
PubChem: 7849426
ChEBI: 4453
LigandBox: D02367
NIKKAJI: J12.635G
KCF data

ATOM        23
            1   C1x C    19.6000  -28.7000
            2   C1x C    19.6000  -30.1000
            3   C2x C    20.7900  -30.8000
            4   C2y C    21.9800  -30.1000
            5   C1y C    21.9800  -28.7000
            6   C1x C    20.7900  -28.0000
            7   C1x C    23.1700  -30.8000
            8   C1x C    24.3600  -30.1000
            9   C1y C    24.3600  -28.7000
            10  C1y C    23.1700  -28.0000
            11  C1y C    25.5500  -28.0000
            12  C1z C    25.5500  -26.6700
            13  C1x C    24.3600  -25.9700
            14  C2y C    23.1700  -26.6700
            15  C1x C    27.9300  -28.0000
            16  C1x C    27.9300  -26.6700
            17  C1z C    26.7400  -25.9700
            18  C1b C    25.5500  -25.2700
            19  O1a O    26.7400  -24.6400
            20  C3b C    27.9300  -25.2700
            21  C3a C    29.1200  -24.6400
            22  C1a C    24.3600  -24.6400
            23  C2a C    21.9547  -25.9749
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 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 3
            25   18  22 1
            26   14  23 2

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (17)   

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