KEGG   DRUG: Hydroxyprogesterone
Entry
D08052                      Drug                                   
Name
Hydroxyprogesterone (INN)
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.46
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
Same as: C01176
ATC code: G03DA03
Chemical structure group: DG00467
Product (DG00467): D00949<JP/US>
Efficacy
Menstruation disorder agent, Progesterone receptor agonist
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  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
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA03 Hydroxyprogesterone
      D08052  Hydroxyprogesterone (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
    D08052  Hydroxyprogesterone
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
    D08052  Hydroxyprogesterone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D08052  Hydroxyprogesterone (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
Other DBs
CAS: 68-96-2
PubChem: 96024745
ChEBI: 17252
PDB-CCD: 3QZ[PDBj]
LigandBox: D08052
NIKKAJI: J4.862C
LinkDB
KCF data

ATOM        24
            1   C1x C    22.6100  -19.8100
            2   C5x C    22.6100  -21.2100
            3   C2x C    23.8000  -21.8400
            4   C2y C    24.9900  -21.2100
            5   C1z C    24.9900  -19.8100
            6   C1x C    23.8000  -19.1100
            7   C1x C    26.1800  -21.8400
            8   C1x C    27.4400  -21.2100
            9   C1y C    27.4400  -19.8100
            10  C1y C    26.1800  -19.1100
            11  C1y C    28.6300  -19.1100
            12  C1z C    28.6300  -17.7100
            13  C1x C    27.4400  -17.0100
            14  C1x C    26.1800  -17.7100
            15  O5x O    21.4200  -21.8400
            16  C1a C    24.9900  -18.4100
            17  C1a C    28.6300  -16.3100
            18  C1x C    31.0549  -19.1100
            19  C1x C    31.0549  -17.7100
            20  C1z C    29.8424  -17.0100
            21  C5a C    29.8424  -15.6102
            22  O5a O    28.6132  -14.9003
            23  C1a C    31.0380  -14.9198
            24  O1a O    31.0379  -16.3196
BOND        27
            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    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   20  24 1 #Down

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KEGG   DRUG: Hydroxyprogesterone caproate
Entry
D00949                      Drug                                   
Name
Hydroxyprogesterone caproate (JAN/USP/INN);
Delalutin (TN);
Hylutin (TN);
Makena (TN)
Product
  Generic
HYDROXYPROGESTERONE CAPROATE (American Regent), HYDROXYPROGESTERONE CAPROATE (AuroMedics Pharma LLC)
Formula
C27H40O4
Exact mass
428.2927
Mol weight
428.60
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
Same as: C08148
Therapeutic category: 2477
ATC code: G03DA03
Chemical structure group: DG00467
Product (DG00467): D00949<JP/US>
Product (mixture): D04465<JP>
Efficacy
Menstruation disorder agent, Progesterone receptor agonist
Comment
Component of EP Hormone (TN), Lutes (TN)
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  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
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA03 Hydroxyprogesterone
      D00949  Hydroxyprogesterone caproate (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2477  Progesterones
     D00949  Hydroxyprogesterone caproate (JAN/USP/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
    D00949  Hydroxyprogesterone caproate
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
    D00949  Hydroxyprogesterone caproate
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG02004  Progesterone
   D00949  Hydroxyprogesterone caproate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D00949  Hydroxyprogesterone caproate (JAN/USP/INN) <JP/US>
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
Other DBs
CAS: 630-56-8
PubChem: 7848012
ChEBI: 5812
LigandBox: D00949
NIKKAJI: J6.891H
LinkDB
KCF data

ATOM        31
            1   C1x C    16.3800  -29.1900
            2   C5x C    16.3800  -30.5900
            3   C2x C    17.5700  -31.2200
            4   C2y C    18.7600  -30.5900
            5   C1z C    18.7600  -29.1900
            6   C1x C    17.5700  -28.4900
            7   C1x C    19.9500  -31.2200
            8   C1x C    21.2100  -30.5900
            9   C1y C    21.2100  -29.1900
            10  C1y C    19.9500  -28.4900
            11  C1y C    22.4000  -28.4900
            12  C1z C    22.4000  -27.0900
            13  C1x C    21.2100  -26.3900
            14  C1x C    19.9500  -27.0900
            15  O5x O    15.1900  -31.2200
            16  C1a C    18.7600  -27.7900
            17  C1a C    22.4000  -25.6900
            18  C1x C    24.8500  -28.4900
            19  C1x C    24.8500  -27.0900
            20  C1z C    23.5900  -26.3900
            21  C5a C    23.5900  -24.9900
            22  O5a O    22.4000  -24.2900
            23  C1a C    24.7800  -24.2900
            24  O7a O    24.7800  -25.6900
            25  C7a C    25.9700  -26.3900
            26  C1b C    27.1600  -25.6900
            27  O6a O    25.9700  -27.7900
            28  C1b C    28.3500  -26.3900
            29  C1b C    29.5400  -25.6900
            30  C1b C    30.7300  -26.3900
            31  C1a C    31.9200  -25.6900
BOND        34
            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    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   20  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1

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KEGG   DRUG: Hydroxyprogesterone 17alfa-acetate
Entry
D08053                      Drug                                   
Name
Hydroxyprogesterone 17alfa-acetate;
Gestageno (TN)
Formula
C23H32O4
Exact mass
372.2301
Mol weight
372.50
Structure
Simcomp
Class
Hormonal agent
 DG02004  Progesterone
 DG01666  Progesterone receptor agonist
Remark
ATC code: G03DA03
Chemical structure group: DG00467
Product (DG00467): D00949<JP/US>
Efficacy
Menstruation disorder agent, Progesterone receptor agonist
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  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
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA03 Hydroxyprogesterone
      D08053  Hydroxyprogesterone 17alfa-acetate
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
    D08053  Hydroxyprogesterone 17alfa-acetate
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
    D08053  Hydroxyprogesterone 17alfa-acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D08053  Hydroxyprogesterone 17alfa-acetate
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
Other DBs
CAS: 17308-02-0
PubChem: 96024746
LigandBox: D08053
NIKKAJI: J287.002I
LinkDB
KCF data

ATOM        27
            1   C1z C    28.7132  -17.0040
            2   C1z C    27.5289  -17.7007
            3   C1x C    29.8975  -17.7007
            4   O7a O    29.8975  -16.3074
            5   C5a C    28.7828  -15.6804
            6   C1y C    27.5289  -19.0243
            7   C1x C    26.3445  -17.0040
            8   C1a C    27.5289  -16.3074
            9   C1x C    29.8975  -19.0243
            10  C7a C    31.0818  -17.0040
            11  C1a C    27.5289  -14.9837
            12  O5a O    29.9671  -14.9837
            13  C1y C    26.3445  -19.7210
            14  C1x C    25.1602  -17.7007
            15  C1a C    32.2661  -16.3074
            16  O6a O    31.0818  -18.3973
            17  C1y C    25.1602  -19.0243
            18  C1x C    26.3445  -21.1143
            19  C1z C    23.9759  -19.7210
            20  C1x C    25.1602  -21.7413
            21  C2y C    23.9759  -21.0446
            22  C1x C    22.7916  -19.0243
            23  C1a C    23.9759  -18.3277
            24  C2x C    22.7916  -21.7413
            25  C1x C    21.6073  -19.7210
            26  C5x C    21.6073  -21.0446
            27  O5x O    20.4230  -21.7413
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 1 #Up
            23   21  24 2
            24   22  25 1
            25   24  26 1
            26   26  27 2
            27    6   9 1
            28   14  17 1
            29   20  21 1
            30   25  26 1

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