KEGG   DRUG: DesogestrelHelp
Entry
D02367                      Drug                                   

Name
Desogestrel (USAN/INN)
Formula
C22H30O
Exact mass
310.2297
Mol weight
310.473
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
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
Drug 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)
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)
BRITE hierarchy
Other DBs
CAS: 54024-22-5
PubChem: 7849426
ChEBI: 4453
ChEMBL: CHEMBL1533
DrugBank: DB00304
LigandBox: D02367
NIKKAJI: J12.635G
LinkDB All DBs
KCF data Show

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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