KEGG   DRUG: Halometasone
Entry
D07202                      Drug                                   

Name
Halometasone (INN)
Formula
C22H27ClF2O5
Exact mass
444.1515
Mol weight
444.8966
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AC12
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)
     D07AC12 Halometasone
      D07202  Halometasone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07202  Halometasone (INN)
Other DBs
CAS: 50629-82-8
PubChem: 51091540
ChEMBL: CHEMBL1587228
LigandBox: D07202
NIKKAJI: J14.680C
LinkDB
KCF data

ATOM        30
            1   C1z C    28.6551  -17.1909
            2   C1y C    28.6551  -18.5887
            3   C1x C    31.0314  -18.5887
            4   C1y C    31.0314  -17.1909
            5   C1z C    29.8433  -16.4920
            6   C1x C    27.4670  -16.4920
            7   C1y C    26.2788  -17.1909
            8   C1z C    26.2788  -18.5887
            9   C1y C    27.4670  -19.2875
            10  C1z C    25.0907  -19.2875
            11  C2y C    25.0907  -20.6155
            12  C1y C    26.2788  -21.3144
            13  C1x C    27.4670  -20.6155
            14  C2x C    23.9026  -18.5887
            15  C2y C    22.7144  -19.2875
            16  C5x C    22.7144  -20.6155
            17  C2x C    23.9026  -21.3144
            18  C1a C    32.3592  -16.8414
            19  C5a C    29.8433  -15.1641
            20  C1b C    30.7518  -14.1856
            21  O1a O    32.0798  -14.5350
            22  O1a O    31.0314  -15.8630
            23  C1a C    28.6551  -15.8630
            24  O1a O    25.0907  -16.4920
            25  C1a C    25.0907  -17.8898
            26  X   F    26.2788  -19.9166
            27  O5x O    21.5263  -21.3144
            28  O5a O    28.5153  -14.6049
            29  X   F    26.2788  -22.7122
            30  X   Cl   21.5010  -18.5936
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16   10  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 1
            20   17  11 2
            21    4  18 1 #Down
            22    5  19 1 #Up
            23   19  20 1
            24   20  21 1
            25    5  22 1 #Down
            26    1  23 1 #Up
            27    7  24 1 #Up
            28   10  25 1 #Up
            29    8  26 1 #Down
            30   16  27 2
            31   19  28 2
            32   12  29 1 #Down
            33   15  30 1

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