KEGG   DRUG: Tixocortol pivalate
Entry
D06171                      Drug                                   

Name
Tixocortol pivalate (USAN)
Formula
C26H38O5S
Exact mass
462.244
Mol weight
462.6419
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: A07EA05 R01AD07
Chemical structure group: DG00096
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
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
     A07EA05 Tixocortol
      D06171  Tixocortol pivalate (USAN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD07 Tixocortol
      D06171  Tixocortol pivalate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D06171  Tixocortol pivalate (USAN)
Other DBs
CAS: 55560-96-8
PubChem: 47207829
ChEBI: 63564
ChEMBL: CHEMBL2107112
LigandBox: D06171
NIKKAJI: J128.623D
LinkDB
KCF data

ATOM        32
            1   C1x C     6.5800  -21.5600
            2   C5x C     6.5800  -22.9600
            3   C2x C     7.7700  -23.5900
            4   C2y C     8.9600  -22.9600
            5   C1z C     8.9600  -21.5600
            6   C1x C     7.7700  -20.8600
            7   C1x C    10.1500  -23.5900
            8   C1x C    11.2700  -22.9600
            9   C1y C    11.2700  -21.5600
            10  C1y C    10.1500  -20.8600
            11  C1y C    12.4600  -20.8600
            12  C1z C    12.4600  -19.5300
            13  C1x C    11.2700  -18.8300
            14  C1y C    10.1500  -19.5300
            15  C1x C    14.8400  -20.8600
            16  C1x C    14.8400  -19.5300
            17  C1z C    13.6500  -18.8300
            18  O5x O     5.3900  -23.5900
            19  C5a C    13.6500  -17.4300
            20  O5a O    12.5300  -16.8000
            21  O1a O    14.8400  -18.2700
            22  O1a O     8.9600  -18.8300
            23  C1a C     8.9600  -20.2300
            24  C1a C    12.4600  -18.1300
            25  C1b C    14.8400  -16.7300
            26  S2a S    16.0300  -17.4300
            27  C5a C    17.2200  -16.7300
            28  C1d C    18.4100  -17.4300
            29  O5a O    17.2200  -15.3300
            30  C1a C    19.6224  -18.1300
            31  C1a C    19.1100  -16.2176
            32  C1a C    17.7100  -18.6424
BOND        35
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22   17  19 1 #Up
            23   19  20 2
            24   17  21 1 #Down
            25   14  22 1 #Up
            26    5  23 1 #Up
            27   12  24 1 #Up
            28   25  26 1
            29   25  19 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   28  31 1
            35   28  32 1

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