KEGG   DRUG: Fluperolone acetateHelp
Entry
D04225                      Drug                                   

Name
Fluperolone acetate (USAN);
Methral (TN)
Formula
C24H31FO6
Exact mass
434.2105
Mol weight
434.4977
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB05
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB05 Fluperolone
      D04225  Fluperolone acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 2119-75-7
PubChem: 47206171
ChEMBL: CHEMBL2107401
LigandBox: D04225
NIKKAJI: J7.327J
LinkDB All DBs
KCF data Show

ATOM        31
            1   C2x C    18.7600  -29.1900
            2   C5x C    18.7600  -30.5200
            3   C2x C    19.9500  -31.2200
            4   C2y C    21.1400  -30.5200
            5   C1z C    21.1400  -29.1900
            6   C2x C    19.9500  -28.4900
            7   C1x C    22.3300  -31.2200
            8   C1x C    23.5200  -30.5200
            9   C1y C    23.5200  -29.1900
            10  C1z C    22.3300  -28.4900
            11  C1y C    24.5700  -28.4900
            12  C1z C    24.5700  -27.1600
            13  C1x C    23.5200  -26.4600
            14  C1y C    22.3300  -27.1600
            15  C1x C    26.8800  -28.4900
            16  C1x C    26.8800  -27.1600
            17  C1z C    25.6900  -26.4600
            18  O5x O    17.6400  -31.2200
            19  C1a C    21.1400  -27.7900
            20  X   F    22.3300  -29.8200
            21  O1a O    21.1400  -26.4600
            22  C1a C    24.5700  -25.7600
            23  O1a O    27.0900  -25.5500
            24  C5a C    25.6900  -24.8500
            25  O5a O    26.9024  -24.1500
            26  C1c C    24.4776  -24.1500
            27  O7a O    23.2821  -24.8404
            28  C7a C    22.0947  -24.1549
            29  C1a C    20.9035  -24.8429
            30  O6a O    22.0945  -22.7502
            31  C1a C    24.4775  -22.7502
BOND        34
            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   10  20 1 #Down
            24   14  21 1 #Up
            25   12  22 1 #Up
            26   17  23 1 #Down
            27   17  24 1 #Up
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2
            34   26  31 1 #Up

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