KEGG   DRUG: Alclometasone
Entry
D07116                      Drug                                   

Name
Alclometasone (INN)
Formula
C22H29ClO5
Exact mass
408.1704
Mol weight
408.9157
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB10 S01BA10
Chemical structure group: DG00415
Product (DG00415): D01820<JP/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)
     D07AB10 Alclometasone
      D07116  Alclometasone (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA10 Alclometasone
      D07116  Alclometasone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07116  Alclometasone (INN)
Other DBs
CAS: 67452-97-5
PubChem: 51091455
ChEBI: 53776
ChEMBL: CHEMBL1201361
DrugBank: DB00240
LigandBox: D07116
NIKKAJI: J18.598A
LinkDB
KCF data

ATOM        28
            1   C2x C    22.7026  -20.4659
            2   C5x C    22.7026  -21.8362
            3   C2x C    23.8893  -22.5214
            4   C2y C    25.0761  -21.8362
            5   C1z C    25.0761  -20.4659
            6   C2x C    23.8893  -19.7807
            7   C1x C    26.2629  -22.5214
            8   C1y C    27.4496  -21.8362
            9   C1y C    27.4496  -20.4659
            10  C1y C    26.2629  -19.7807
            11  C1y C    28.6363  -19.7807
            12  C1z C    28.6364  -18.4103
            13  C1x C    27.4497  -17.7251
            14  C1y C    26.2629  -18.4103
            15  C1x C    31.0099  -19.7809
            16  C1y C    31.0100  -18.4105
            17  C1z C    29.8233  -17.7252
            18  C1a C    28.6364  -17.0400
            19  C1a C    25.0761  -19.0955
            20  O1a O    25.0781  -17.7263
            21  X   Cl   28.6219  -22.5131
            22  C1a C    32.3214  -17.9381
            23  O1a O    31.0100  -17.0401
            24  C5a C    29.8233  -16.1449
            25  O5x O    21.5158  -22.5214
            26  O5a O    31.0224  -15.6628
            27  C1b C    28.6728  -15.3676
            28  O1a O    27.4239  -15.9759
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   12  18 1 #Up
            22    5  19 1 #Up
            23   14  20 1 #Up
            24    8  21 1 #Down
            25   16  22 1 #Down
            26   17  23 1 #Down
            27   17  24 1 #Up
            28    2  25 2
            29   24  26 2
            30   24  27 1
            31   27  28 1

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