KEGG   DRUG: DanazolHelp
Entry
D00289                      Drug                                   

Name
Danazol (JP17/USP/INN);
Danocrine (TN)
Product
  Generic
Formula
C22H27NO2
Exact mass
337.2042
Mol weight
337.4553
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
 DG01666  Progesterone receptor agonist
Remark
Same as: C06938
Therapeutic category: 2499
ATC code: G03XA01
Product: D00289<JP/US>
Efficacy
Anti-endometriosis, Anterior pituitary suppressant
  Disease
Endometriosis [DS:H01639]
Hereditary angioedema [DS:H01006]
Comment
antigonadotropin
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
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
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XA Antigonadotropins and similar agents
     G03XA01 Danazol
      D00289  Danazol (JP17/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Danazol
    D00289  Danazol (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00289  Danazol (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00289  Danazol (JP17/USP/INN) <JP/US>
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D00289  Danazol (JP17/USP/INN) <JP/US>
    NR3C4 (AR)
     D00289  Danazol (JP17/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00289  Danazol
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D00289
BRITE hierarchy
Other DBs
CAS: 17230-88-5
PubChem: 7847355
ChEBI: 4315
ChEMBL: CHEMBL1479 CHEMBL1526543
LigandBox: D00289
NIKKAJI: J24.462G
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    11.6900  -13.0200
            2   C8y C    11.6900  -14.4200
            3   C2x C    12.9024  -15.1200
            4   C2y C    14.1149  -14.4200
            5   C1z C    14.1149  -13.0200
            6   C1x C    12.9024  -12.3200
            7   C1x C    15.3273  -15.1200
            8   C1x C    16.5397  -14.4200
            9   C1y C    16.5397  -13.0200
            10  C1y C    15.3273  -12.3200
            11  C1y C    17.7522  -12.3200
            12  C1z C    17.7522  -10.9200
            13  C1x C    16.5397  -10.2200
            14  C1x C    15.3273  -10.9200
            15  C1x C    20.1770  -12.3200
            16  C1x C    20.1770  -10.9200
            17  C1z C    18.9646  -10.2200
            18  C8x C    10.3585  -12.5874
            19  N5x N     9.5356  -13.7200
            20  O2x O    10.3585  -14.8526
            21  O1a O    18.9646   -8.8200
            22  C1a C    14.1149  -11.6200
            23  C1a C    17.7522   -9.5200
            24  C3b C    20.1770   -9.5200
            25  C3a C    21.3895   -8.8200
BOND        29
            1     1   2 2
            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    1  18 1
            22   18  19 2
            23   19  20 1
            24    2  20 1
            25   17  21 1
            26    5  22 1 #Up
            27   12  23 1 #Up
            28   17  24 1 #Down
            29   24  25 3

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