KEGG   DRUG: Clocortolone
Entry
D07719                      Drug                                   

Name
Clocortolone (INN)
Formula
C22H28ClFO4
Exact mass
410.166
Mol weight
410.9067
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB21
Chemical structure group: DG00416
Product (DG00416): D02287<US>
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
    D07AB Corticosteroids, moderately potent (group II)
     D07AB21 Clocortolone
      D07719  Clocortolone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07719  Clocortolone (INN)
Other DBs
CAS: 4828-27-7
PubChem: 51092015
ChEBI: 59582
ChEMBL: CHEMBL63427
LigandBox: D07719
NIKKAJI: J106.513K
LinkDB
KCF data

ATOM        28
            1   C2x C    18.2000  -19.3200
            2   C5x C    18.2000  -20.6500
            3   C2x C    19.3900  -21.3500
            4   C2y C    20.5800  -20.6500
            5   C1z C    20.5800  -19.3200
            6   C2x C    19.3900  -18.6200
            7   C1y C    21.7700  -21.3500
            8   C1x C    22.8900  -20.6500
            9   C1y C    22.8900  -19.3200
            10  C1z C    21.7700  -18.6200
            11  C1y C    24.0800  -18.6200
            12  C1z C    24.0800  -17.2900
            13  C1x C    22.8900  -16.5900
            14  C1y C    21.7700  -17.2900
            15  C1x C    26.4600  -18.6200
            16  C1y C    26.4600  -17.2900
            17  C1y C    25.2700  -16.5900
            18  X   F    21.7700  -22.7500
            19  X   Cl   21.7700  -20.0200
            20  C1a C    27.6500  -16.5900
            21  C1a C    24.0100  -15.8900
            22  C1a C    20.5800  -17.9900
            23  O5x O    17.0100  -21.3500
            24  O1a O    20.5800  -16.5900
            25  C5a C    25.2700  -15.1900
            26  O5a O    24.0100  -14.4900
            27  C1b C    26.4766  -14.4800
            28  O1a O    27.6863  -15.1653
BOND        31
            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    7  18 1 #Down
            22   10  19 1 #Down
            23   16  20 1 #Down
            24   12  21 1 #Up
            25    5  22 1 #Up
            26    2  23 2
            27   14  24 1 #Up
            28   17  25 1 #Up
            29   25  26 2
            30   25  27 1
            31   27  28 1

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