KEGG   DRUG: Prednisolone tebutate
Entry
D00982                      Drug                                   

Name
Prednisolone tebutate (JAN/USP);
Hydeltra-TBA (TN)
Formula
C27H38O6
Exact mass
458.2668
Mol weight
458.587
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C08182
ATC code: A07EA01 C05AA04 D07AA03 D07XA02 H02AB06 R01AD02 S01BA04 S01CB02 S02BA03 S03BA02
Chemical structure group: DG00093
Product (DG00093): D00472<JP/US> D00980<JP/US> D00981<JP/US> D01239<JP> D03301<JP>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA01 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA04 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA03 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA02 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB06 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD02 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA04 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB02 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA03 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA02 Prednisolone
      D00982  Prednisolone tebutate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D00982  Prednisolone tebutate (JAN/USP)
Other DBs
CAS: 7681-14-3
PubChem: 7848045
ChEBI: 8381
ChEMBL: CHEMBL1200909
DrugBank: DB00860
LigandBox: D00982
NIKKAJI: J8.959A
LinkDB
KCF data

ATOM        33
            1   C2x C     5.5829  -11.2284
            2   C5x C     5.5829  -12.5914
            3   C2x C     6.7633  -13.2729
            4   C2y C     7.9437  -12.5914
            5   C1z C     7.9437  -11.2284
            6   C2x C     6.7633  -10.5468
            7   C1x C     9.1241  -13.2729
            8   C1x C    10.3045  -12.5914
            9   C1y C    10.3045  -11.2284
            10  C1y C     9.1241  -10.5468
            11  C1y C    11.4850  -10.5468
            12  C1z C    11.4850   -9.1838
            13  C1x C    10.3045   -8.5023
            14  C1y C     9.1241   -9.1838
            15  C1x C    13.8457  -10.5468
            16  C1x C    13.8457   -9.1838
            17  C1z C    12.6654   -8.5023
            18  O5x O     4.4025  -13.2729
            19  C1a C     7.9437   -9.8653
            20  O1a O     7.9457   -8.5035
            21  C1a C    11.4850   -7.8208
            22  C5a C    12.6654   -6.7948
            23  O1a O    13.8457   -7.8208
            24  C1b C    13.8497   -6.1111
            25  O5a O    11.4889   -6.1155
            26  O7a O    15.0156   -6.7843
            27  C7a C    16.2511   -6.0706
            28  C1b C    17.4636   -6.7703
            29  O6a O    16.2506   -4.6900
            30  C1d C    18.6422   -6.0895
            31  C1a C    19.8382   -6.7799
            32  C1a C    18.6419   -4.6902
            33  C1a C    18.6422   -7.4895
BOND        36
            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   22  24 1
            28   22  25 2
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   30  31 1
            35   30  32 1
            36   30  33 1

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