KEGG   DRUG: ParamethasoneHelp
Entry
D07464                      Drug                                   

Name
Paramethasone (INN);
Dillar (TN)
Formula
C22H29FO5
Exact mass
392.1999
Mol weight
392.4611
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C07413
ATC code: H02AB05
Chemical structure group: DG00508
Efficacy
Anti-inflammatory, Immunosuppressant, Glucocorticoid receptor agonist
Comment
fluorinated steroid
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB05 Paramethasone
      D07464  Paramethasone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07464  Paramethasone (INN)
BRITE hierarchy
Other DBs
CAS: 53-33-8
PubChem: 96024431
ChEBI: 7922
ChEMBL: CHEMBL1579
DrugBank: DB01384
LigandBox: D07464
NIKKAJI: J10.689E
LinkDB All DBs
KCF data Show

ATOM        28
            1   C2x C    18.8300  -28.6300
            2   C5x C    18.8300  -29.9600
            3   C2x C    20.0200  -30.6600
            4   C2y C    21.1400  -29.9600
            5   C1z C    21.1400  -28.6300
            6   C2x C    20.0200  -28.0000
            7   C1y C    22.3300  -30.6600
            8   C1x C    23.5200  -29.9600
            9   C1y C    23.5200  -28.6300
            10  C1y C    22.3300  -28.0000
            11  C1y C    24.5700  -28.0000
            12  C1z C    24.5700  -26.6700
            13  C1x C    23.5200  -25.9700
            14  C1y C    22.3300  -26.6700
            15  C1x C    26.8800  -28.0000
            16  C1y C    26.8800  -26.6700
            17  C1z C    25.6900  -25.9700
            18  O5x O    17.7100  -30.6600
            19  C1a C    21.1400  -27.3000
            20  O1a O    21.1400  -25.9700
            21  C1a C    24.5700  -25.2700
            22  C5a C    25.6900  -24.1500
            23  O1a O    27.0900  -25.0600
            24  C1a C    28.2800  -26.6700
            25  X   F    22.3300  -32.0600
            26  O5a O    26.8800  -23.4500
            27  C1b C    24.5000  -23.4500
            28  O1a O    23.3100  -24.1500
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            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    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   17  23 1 #Down
            27   16  24 1 #Down
            28    7  25 1 #Down
            29   22  26 2
            30   22  27 1
            31   27  28 1

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KEGG   DRUG: Paramethasone acetateHelp
Entry
D01229                      Drug                                   

Name
Paramethasone acetate (JAN/USAN);
Haldrone (TN)
Formula
C24H31FO6
Exact mass
434.2105
Mol weight
434.4977
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C12656
ATC code: H02AB05
Chemical structure group: DG00508
Efficacy
Anti-inflammatory, Immunosuppressant, Glucocorticoid receptor agonist
Comment
fluorinated steroid
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB05 Paramethasone
      D01229  Paramethasone acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01229  Paramethasone acetate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 1597-82-6
PubChem: 7848292
ChEBI: 31963
ChEMBL: CHEMBL1200342 CHEMBL302089
LigandBox: D01229
NIKKAJI: J7.525F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1y C    24.4746  -21.4862
            2   C1y C    25.7237  -20.8091
            3   C1y C    23.2954  -20.7915
            4   C1x C    24.4746  -22.8522
            5   C1z C    25.6713  -19.4489
            6   C1x C    28.0120  -20.7682
            7   C1z C    22.1104  -21.4745
            8   C1y C    23.3071  -19.4314
            9   C1y C    23.2837  -23.5293
            10  C1z C    26.8563  -18.7834
            11  C1x C    24.4980  -18.7543
            12  C1a C    25.7646  -18.0888
            13  C1y C    28.0296  -19.4782
            14  C2y C    22.1046  -22.8405
            15  C2x C    20.9254  -20.7857
            16  C1a C    22.0346  -20.1611
            17  O1a O    22.1280  -18.7367
            18  X   F    23.2780  -24.9069
            19  C5a C    26.8737  -16.9917
            20  O1a O    27.9829  -17.9488
            21  C1a C    29.5005  -19.1279
            22  C2x C    20.9254  -23.5234
            23  C2x C    19.7347  -21.4745
            24  C1b C    28.0704  -16.3262
            25  O5a O    25.6947  -16.2970
            26  C5x C    19.7347  -22.8405
            27  O7a O    29.2437  -17.0208
            28  O5x O    18.5554  -23.5234
            29  C7a C    30.4609  -16.3357
            30  C1a C    31.6626  -17.0471
            31  O6a O    30.4761  -14.9391
BOND        34
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     4   9 1
            7     5  10 1
            8     5  11 1
            9     5  12 1 #Up
            10    6  13 1
            11    7  14 1
            12    7  15 1
            13    7  16 1 #Up
            14    8  17 1 #Up
            15    9  18 1 #Down
            16   10  19 1 #Up
            17   10  20 1 #Down
            18   13  21 1 #Down
            19   14  22 2
            20   15  23 2
            21   19  24 1
            22   19  25 2
            23   22  26 1
            24   24  27 1
            25   26  28 2
            26    8  11 1
            27    9  14 1
            28   10  13 1
            29   23  26 1
            30   27  29 1
            31    1   2 1
            32   29  30 1
            33    1   3 1
            34   29  31 2

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