KEGG   DRUG: Flucloronide
Entry
D04201                      Drug                                   

Name
Flucloronide (USAN);
Fluclorolone acetonide (INN)
Formula
C24H29Cl2FO5
Exact mass
486.1376
Mol weight
487.3885
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AC02
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)
     D07AC02 Fluclorolone
      D04201  Flucloronide (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04201  Flucloronide (USAN)
Other DBs
CAS: 3693-39-8
PubChem: 47206147
ChEMBL: CHEMBL461332
LigandBox: D04201
NIKKAJI: J8.216C
LinkDB
KCF data

ATOM        32
            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   C1y 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  C1y 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   Cl   22.3300  -29.8200
            21  X   Cl   21.1400  -26.4600
            22  C1a C    24.5700  -25.7600
            23  C5a C    25.6900  -24.6400
            24  O2x O    27.0900  -25.5500
            25  O2x O    28.2800  -27.1600
            26  C1z C    28.4900  -25.5500
            27  C1a C    29.8900  -25.5500
            28  C1a C    28.4900  -24.2900
            29  X   F    22.3300  -32.6200
            30  O5a O    26.9024  -23.9400
            31  C1b C    24.4776  -23.9400
            32  O1a O    23.2821  -24.6304
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   10  20 1 #Down
            24   14  21 1 #Up
            25   12  22 1 #Up
            26   17  23 1 #Up
            27   17  24 1 #Down
            28   16  25 1 #Down
            29   24  26 1
            30   26  25 1
            31   26  27 1
            32   26  28 1
            33    7  29 1 #Down
            34   23  30 2
            35   23  31 1
            36   31  32 1

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