KEGG   DRUG: Chlormadinone
Entry
D07670                      Drug                                   

Name
Chlormadinone (INN)
Formula
C21H27ClO3
Exact mass
362.1649
Mol weight
362.8903
Structure
Simcomp
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Remark
ATC code: G03DB06
Chemical structure group: DG00469
Product (DG00469): D01299<JP>
Efficacy
Menstruation disorder agent, Prostatic hyperplasia treatment, Progesterone receptor agonist, Androgen receptor antagonist
Comment
Progestin, Pregnadien derivative
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
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
   G03D PROGESTOGENS
    G03DB Pregnadien derivatives
     G03DB06 Chlormadinone
      D07670  Chlormadinone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D07670  Chlormadinone (INN)
    NR3C4 (AR)
     D07670  Chlormadinone (INN)
Other DBs
CAS: 1961-77-9
PubChem: 51091972
ChEMBL: CHEMBL1697830
LigandBox: D07670
NIKKAJI: J13.853C
LinkDB
KCF data

ATOM        25
            1   C1z C    22.2255  -14.2313
            2   C1z C    21.0340  -14.8622
            3   C1x C    23.3470  -14.8622
            4   O1a O    23.3470  -13.5304
            5   C5a C    22.2255  -12.8295
            6   C1y C    21.0340  -16.2640
            7   C1x C    19.8424  -14.1612
            8   C1a C    21.0340  -13.5304
            9   C1x C    23.3470  -16.2640
            10  C1a C    21.0339  -12.1285
            11  O5a O    23.4170  -12.1285
            12  C1y C    19.8424  -16.9650
            13  C1x C    18.6508  -14.8622
            14  C1y C    18.6508  -16.2640
            15  C2x C    19.8424  -18.2968
            16  C1z C    17.4592  -16.8949
            17  C2y C    18.6508  -18.9977
            18  C2y C    17.4592  -18.2968
            19  C1x C    16.2676  -16.1939
            20  C1a C    17.4592  -15.5631
            21  X   Cl   18.6507  -20.3295
            22  C2x C    16.2676  -18.9977
            23  C1x C    15.0760  -16.8949
            24  C5x C    15.0760  -18.2968
            25  O5x O    13.8844  -18.9977
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13   12  14 1
            14   12  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 1
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1
            21   18  22 2
            22   19  23 1
            23   22  24 1
            24   24  25 2
            25    6   9 1
            26   13  14 1
            27   17  18 1
            28   23  24 1

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KEGG   DRUG: Chlormadinone acetate
Entry
D01299                      Drug                                   

Name
Chlormadinone acetate (JP18/USAN);
Lutoral (TN)
Formula
C23H29ClO4
Exact mass
404.1754
Mol weight
404.927
Structure
Simcomp
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Remark
Same as: C12729
Therapeutic category: 2478
ATC code: G03DB06
Chemical structure group: DG00469
Product (DG00469): D01299<JP>
Efficacy
Menstruation disorder agent, Prostatic hyperplasia treatment, Progesterone receptor agonist, Androgen receptor antagonist
Comment
Progestin, Pregnadien derivative
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
hsa05215  Prostate cancer
Interaction
Structure map
map07043  Antineoplastics - hormones
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
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
   G03D PROGESTOGENS
    G03DB Pregnadien derivatives
     G03DB06 Chlormadinone
      D01299  Chlormadinone acetate (JP18/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2478  Synthetic progestins
     D01299  Chlormadinone acetate (JP18/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D01299  Chlormadinone acetate (JP18/USAN) <JP>
    NR3C4 (AR)
     D01299  Chlormadinone acetate (JP18/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01299  Chlormadinone acetate
Other DBs
CAS: 302-22-7
PubChem: 7848362
ChEBI: 31394
ChEMBL: CHEMBL110691 CHEMBL3039366
LigandBox: D01299
NIKKAJI: J5.478J
LinkDB
KCF data

ATOM        28
            1   C1z C    34.0635  -15.4455
            2   C1z C    32.8751  -16.1154
            3   C1x C    35.2406  -16.1271
            4   O7a O    35.2406  -14.7520
            5   C5a C    34.1921  -14.0704
            6   C1y C    32.9334  -17.4848
            7   C1x C    31.7039  -15.4279
            8   C1x C    35.2290  -17.4964
            9   C7a C    36.4293  -15.4338
            10  C1a C    32.9918  -13.3769
            11  O5a O    35.3749  -13.3712
            12  C1y C    31.6806  -18.1664
            13  C1x C    30.5094  -16.0980
            14  C1a C    37.6120  -14.7463
            15  O6a O    36.4235  -16.8089
            16  C1y C    30.4978  -17.4672
            17  C2x C    31.6806  -19.5357
            18  C1z C    29.3091  -18.1490
            19  C2y C    30.4861  -20.2174
            20  C2y C    29.3034  -19.5241
            21  C1x C    28.1265  -17.4615
            22  C1a C    29.2977  -16.7797
            23  X   Cl   30.5445  -21.5867
            24  C2x C    28.1265  -20.2174
            25  C1x C    26.9320  -18.1490
            26  C5x C    26.9320  -19.5241
            27  O5x O    25.7433  -20.2057
            28  C1a C    32.8751  -14.7154
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 2
            15   12  16 1
            16   12  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   24  26 1
            26   26  27 2
            27    6   8 1
            28   13  16 1
            29   19  20 1
            30   25  26 1
            31    2  28 1 #Up

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