KEGG   DRUG: Methylprednisolone aceponate
Entry
D07203                      Drug                                   

Name
Methylprednisolone aceponate (INN);
Advantan (TN)
Formula
C27H36O7
Exact mass
472.2461
Mol weight
472.5705
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: D07AA01 D07AC14 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
      D07203  Methylprednisolone aceponate (INN)
    D07AC Corticosteroids, potent (group III)
     D07AC14 Methylprednisolone aceponate
      D07203  Methylprednisolone aceponate (INN)
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA02 Methylprednisolone
      D07203  Methylprednisolone aceponate (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
      D07203  Methylprednisolone aceponate (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07203  Methylprednisolone aceponate (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07203
Other DBs
CAS: 86401-95-8
PubChem: 51091541
ChEMBL: CHEMBL1697782
LigandBox: D07203
NIKKAJI: J25.810E
LinkDB
KCF data

ATOM        34
            1   C1z C    27.4416  -18.9534
            2   C1y C    27.4416  -20.3466
            3   C1x C    29.8101  -20.3466
            4   C1x C    29.8101  -18.9534
            5   C1z C    28.6259  -18.2568
            6   C1x C    26.2574  -18.2568
            7   C1y C    25.0731  -18.9534
            8   C1y C    25.0731  -20.3466
            9   C1y C    26.2574  -21.0433
            10  C1z C    23.8889  -21.0433
            11  C2y C    23.8889  -22.3668
            12  C1y C    25.0731  -22.9938
            13  C1x C    26.2574  -22.3668
            14  C2x C    22.7046  -20.3466
            15  C2x C    21.5204  -21.0433
            16  C5x C    21.5204  -22.3668
            17  C2x C    22.7046  -22.9938
            18  C1a C    27.4416  -17.6298
            19  O1a O    23.8889  -18.2568
            20  C1a C    23.8889  -19.6500
            21  O5x O    20.4058  -22.9938
            22  C5a C    28.6259  -16.8635
            23  O7a O    29.8353  -17.5650
            24  C1b C    29.8324  -16.1669
            25  O7a O    29.8324  -14.7737
            26  C7a C    31.0222  -14.0866
            27  C1a C    31.0222  -12.6934
            28  C7a C    31.0181  -18.2545
            29  C1b C    32.2086  -17.5735
            30  C1a C    33.3841  -18.2587
            31  O6a O    31.0124  -19.6499
            32  O5a O    27.4194  -16.1669
            33  O6a O    32.2037  -14.7688
            34  C1a C    25.0728  -24.3599
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16   10  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 1
            20   17  11 2
            21    1  18 1 #Up
            22    7  19 1 #Up
            23   10  20 1 #Up
            24   16  21 2
            25    5  22 1 #Up
            26    5  23 1 #Down
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   23  28 1
            32   28  29 1
            33   29  30 1
            34   28  31 2
            35   22  32 2
            36   26  33 2
            37   12  34 1 #Down

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