KEGG   DRUG: Methylprednisolone suleptanate
Entry
D05002                      Drug                                   

Name
Methylprednisolone suleptanate (USAN/INN)
Formula
C33H48NO10S. Na
Exact mass
673.2897
Mol weight
673.7897
Structure
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: D07AA01 D10AA02 H02AB04
Chemical structure group: DG00410
Product (DG00410): D00407<JP/US> D00751<JP/US> D00979<JP/US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA01 Methylprednisolone
      D05002  Methylprednisolone suleptanate (USAN/INN)
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA02 Methylprednisolone
      D05002  Methylprednisolone suleptanate (USAN/INN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB04 Methylprednisolone
      D05002  Methylprednisolone suleptanate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D05002  Methylprednisolone suleptanate (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05002
Other DBs
CAS: 90350-40-6
PubChem: 47206730
ChEMBL: CHEMBL2106453
DrugBank: DB00959
LigandBox: D05002
LinkDB
KCF data

ATOM        46
            1   C2x C    23.5900  -36.8900
            2   C5x C    23.5900  -38.2200
            3   C2x C    24.7800  -38.9200
            4   C2y C    25.9700  -38.2200
            5   C1z C    25.9700  -36.8900
            6   C2x C    24.7800  -36.1900
            7   C1y C    27.0900  -38.9200
            8   C1x C    28.2800  -38.2200
            9   C1y C    28.2800  -36.8900
            10  C1y C    27.0900  -36.1900
            11  C1y C    29.4700  -36.1900
            12  C1z C    29.4700  -34.8600
            13  C1x C    28.2800  -34.1600
            14  C1y C    27.0900  -34.8600
            15  C1x C    31.8500  -36.1900
            16  C1x C    31.8500  -34.8600
            17  C1z C    30.6600  -34.1600
            18  O5x O    22.4000  -38.9200
            19  C1a C    25.9700  -35.4900
            20  O1a O    25.9700  -34.1600
            21  C1a C    29.4700  -33.4600
            22  C5a C    30.6600  -32.4800
            23  C1a C    27.0900  -40.2500
            24  O1a O    31.8500  -33.4600
            25  C1b C    31.8500  -31.7800
            26  O5a O    29.4700  -31.7800
            27  O7a O    32.9700  -32.4800
            28  C7a C    34.0900  -31.7800
            29  C1b C    35.2800  -32.4800
            30  O6a O    34.0900  -30.4500
            31  C1b C    36.4700  -31.7800
            32  C1b C    37.7300  -32.4800
            33  C1b C    38.9200  -31.7800
            34  C1b C    40.1100  -32.4800
            35  C1b C    41.3700  -31.7800
            36  C5a C    42.5600  -32.4800
            37  O5a O    42.5600  -33.8800
            38  N1c N    43.7500  -31.8500
            39  C1b C    44.9400  -32.6200
            40  C1a C    43.7500  -30.4500
            41  C1b C    46.1300  -31.9900
            42  S4a S    47.3200  -32.6900
            43  O1d O    48.5100  -33.3900 #-
            44  O1d O    46.6200  -33.8800
            45  O1d O    48.0200  -31.5000
            46  Z   Na   48.1600  -34.9300 #+
BOND        48
            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    7  23 1 #Down
            27   17  24 1 #Down
            28   22  25 1
            29   22  26 2
            30   25  27 1
            31   27  28 1
            32   28  30 2
            33   28  29 1
            34   29  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 2
            41   36  38 1
            42   38  39 1
            43   38  40 1
            44   39  41 1
            45   41  42 1
            46   42  43 1
            47   42  44 2
            48   42  45 2

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