KEGG   DRUG: Clocortolone acetate
Entry
D03541                      Drug                                   

Name
Clocortolone acetate (USAN)
Formula
C24H30ClFO5
Exact mass
452.1766
Mol weight
452.9434
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
      D03541  Clocortolone acetate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D03541  Clocortolone acetate (USAN)
Other DBs
CAS: 4258-85-9
PubChem: 17397669
ChEMBL: CHEMBL2106011
DrugBank: DB00838
LigandBox: D03541
NIKKAJI: J8.696G
LinkDB
KCF data

ATOM        31
            1   C2x C    19.1557  -16.0340
            2   C5x C    19.1557  -17.3902
            3   C2x C    20.3301  -18.0684
            4   C2y C    21.5046  -17.3902
            5   C1z C    21.5046  -16.0340
            6   C2x C    20.3301  -15.3559
            7   C1y C    22.6792  -18.0684
            8   C1x C    23.8536  -17.3902
            9   C1y C    23.8536  -16.0340
            10  C1z C    22.6792  -15.3559
            11  C1y C    25.0280  -15.3559
            12  C1z C    25.0280  -13.9997
            13  C1x C    23.8536  -13.3217
            14  C1y C    22.6792  -13.9997
            15  C1x C    27.3771  -15.3559
            16  C1y C    27.3771  -13.9997
            17  C1y C    26.2026  -13.3217
            18  C5a C    26.2079  -11.5019
            19  C1b C    27.3849  -10.8284
            20  O5a O    25.0358  -10.8194
            21  X   F    22.6817  -19.4245
            22  X   Cl   22.6817  -16.7122
            23  C1a C    28.5563  -13.3190
            24  C1a C    24.9659  -12.6436
            25  C1a C    21.5063  -14.6779
            26  O5x O    17.9811  -18.0684
            27  O1a O    21.5066  -13.3228
            28  O7a O    28.5824  -11.5260
            29  C7a C    29.7799  -10.8406
            30  C1a C    30.9569  -11.5262
            31  O6a O    29.7157   -9.4289
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   17  18 1 #Up
            22   18  19 1
            23   18  20 2
            24    7  21 1 #Down
            25   10  22 1 #Down
            26   16  23 1 #Down
            27   12  24 1 #Up
            28    5  25 1 #Up
            29    2  26 2
            30   14  27 1 #Up
            31   19  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2

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