KEGG   DRUG: Diflucortolone pivalate
Entry
D03813                      Drug                                   

Name
Diflucortolone pivalate (USAN)
Formula
C27H36F2O5
Exact mass
478.2531
Mol weight
478.5685
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AC06 D07XC04
Chemical structure group: DG00417
Product (DG00417): D01764<JP>
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]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC06 Diflucortolone
      D03813  Diflucortolone pivalate (USAN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XC Corticosteroids, potent, other combinations
     D07XC04 Diflucortolone
      D03813  Diflucortolone pivalate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D03813  Diflucortolone pivalate (USAN)
Other DBs
CAS: 15845-96-2
PubChem: 17397901
ChEMBL: CHEMBL2106277 CHEMBL67139
LigandBox: D03813
NIKKAJI: J9.016F
LinkDB
KCF data

ATOM        34
            1   C1b C    35.7858  -14.7872
            2   O7a O    34.6295  -15.4743
            3   C7a C    33.4596  -14.8214
            4   C1d C    32.3033  -15.5083
            5   C1a C    31.1335  -14.8553
            6   O6a O    33.4415  -13.4748
            7   C5a C    36.9558  -15.4402
            8   C2x C    29.9337  -20.5349
            9   C5x C    29.9337  -21.8816
            10  C2x C    31.1027  -22.5550
            11  C2x C    31.1027  -19.8615
            12  C1z C    32.2650  -20.5349
            13  C2y C    32.2591  -21.8816
            14  C1y C    33.4226  -22.5601
            15  C1x C    34.5918  -21.8916
            16  C1z C    33.4342  -19.8666
            17  C1y C    34.5918  -20.5478
            18  C1x C    34.6139  -17.8614
            19  C1y C    33.4451  -18.5235
            20  C1z C    35.7716  -18.5423
            21  C1y C    35.7555  -19.8816
            22  C1x C    38.0747  -19.9097
            23  C1y C    38.0911  -18.5706
            24  C1y C    36.9394  -17.8870
            25  C1a C    35.7626  -17.1953
            26  O1a O    32.2845  -17.8404
            27  C1a C    32.2529  -19.1881
            28  C1a C    39.2654  -17.9113
            29  X   F    33.4230  -21.2083
            30  X   F    33.4091  -23.9017
            31  O5x O    28.7677  -22.5557
            32  O5a O    38.1228  -14.7825
            33  C1a C    32.2524  -16.9146
            34  C1a C    31.1068  -16.2213
BOND        37
            1     3   4 1
            2     1   2 1
            3     4   5 1
            4     7   1 1
            5    16  17 1
            6    17  21 1
            7    20  18 1
            8    18  19 1
            9    19  16 1
            10    8   9 1
            11    9  10 1
            12   10  13 2
            13   12  11 1
            14   20  21 1
            15   22  23 1
            16   23  24 1
            17   24  20 1
            18   21  22 1
            19   24   7 1 #Up
            20   11   8 2
            21   20  25 1 #Up
            22    2   3 1
            23    3   6 2
            24   19  26 1 #Up
            25   12  27 1 #Up
            26   23  28 1 #Down
            27   12  13 1
            28   13  14 1
            29   16  29 1 #Down
            30   14  15 1
            31   14  30 1 #Down
            32   15  17 1
            33    9  31 2
            34   16  12 1
            35    7  32 2
            36    4  33 1
            37    4  34 1

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