KEGG   DRUG: Fluocortin butylHelp
Entry
D04217                      Drug                                   

Name
Fluocortin butyl (USAN)
Formula
C26H35FO5
Exact mass
446.2469
Mol weight
446.5515
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB04
Chemical structure group: DG00413
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
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)
     D07AB04 Fluocortin
      D04217  Fluocortin butyl (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04217  Fluocortin butyl (USAN)
BRITE hierarchy
Other DBs
CAS: 41767-29-7
PubChem: 47206163
ChEMBL: CHEMBL2105087
LigandBox: D04217
NIKKAJI: J16.527A
LinkDB All DBs
KCF data Show

ATOM        32
            1   C2x C    22.1900  -19.8800
            2   C5x C    22.1900  -21.1400
            3   C2x C    23.3800  -21.8400
            4   C2y C    24.5000  -21.1400
            5   C1z C    24.5000  -19.8800
            6   C2x C    23.3800  -19.1800
            7   C1y C    25.7600  -21.8400
            8   C1x C    26.9500  -21.1400
            9   C1y C    26.9500  -19.8800
            10  C1y C    25.7600  -19.1800
            11  C1y C    28.0700  -19.1800
            12  C1z C    28.0700  -17.7800
            13  C1x C    26.9500  -17.0800
            14  C1y C    25.7600  -17.7800
            15  O5x O    21.0000  -21.8400
            16  C1a C    24.5000  -18.4800
            17  O1a O    24.5000  -17.0800
            18  C1a C    28.0700  -16.3800
            19  X   F    25.7600  -23.2400
            20  C1x C    30.5200  -19.1800
            21  C1y C    30.5200  -17.7800
            22  C1y C    29.3300  -17.0800
            23  C1a C    31.7100  -17.0800
            24  C5a C    29.3300  -15.5400
            25  C7a C    28.0700  -14.8400
            26  O5a O    30.4500  -14.8400
            27  O7a O    26.8800  -15.4700
            28  O6a O    28.0700  -13.4400
            29  C1b C    25.6941  -14.7260
            30  C1b C    24.4645  -15.3768
            31  C1b C    23.2650  -14.6236
            32  C1a C    22.0053  -15.2899
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 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    2  15 2
            18    5  16 1 #Up
            19   14  17 1 #Up
            20   12  18 1 #Up
            21    7  19 1 #Down
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   21  23 1 #Down
            27   22  24 1 #Up
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   25  28 2
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1

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