KEGG   DRUG: Loteprednol etabonateHelp
Entry
D01689                      Drug                                   

Name
Loteprednol etabonate (JAN/USAN);
Lotemax (TN)
Product
Formula
C24H31ClO7
Exact mass
466.1758
Mol weight
466.9517
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: S01BA14
Chemical structure group: DG01127
Product (DG01127): D01689<US>
Efficacy
Anti-inflammatory (topical), Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA14 Loteprednol
      D01689  Loteprednol etabonate (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Loteprednol
    D01689  Loteprednol etabonate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01689  Loteprednol etabonate (JAN/USAN) <US>
BRITE hierarchy
Other DBs
CAS: 82034-46-6
PubChem: 7848752
ChEBI: 31784
ChEMBL: CHEMBL1200865
DrugBank: DB00873
LigandBox: D01689
NIKKAJI: J418.181F
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1z C    27.1943  -18.2248
            2   C1z C    26.0075  -18.8849
            3   C1x C    28.3695  -18.9200
            4   C7a C    27.2177  -16.8387
            5   O7a O    28.3870  -17.5164
            6   C1y C    26.0308  -20.2998
            7   C1x C    24.8204  -18.2014
            8   C1a C    25.9958  -17.4932
            9   C1x C    28.3518  -20.2883
            10  O7a O    26.0307  -16.1247
            11  O6a O    28.4279  -16.1598
            12  C7a C    29.7671  -17.5164
            13  C1y C    24.7970  -20.9263
            14  C1y C    23.5855  -18.8615
            15  C1b C    24.8263  -16.8153
            16  O7a O    30.4519  -16.3236
            17  O6a O    30.4636  -18.7151
            18  C1y C    23.6205  -20.2356
            19  C1x C    24.7970  -22.2888
            20  O1a O    22.4455  -18.1897
            21  X   Cl   23.6205  -16.1189
            22  C1b C    31.8319  -16.3236
            23  C1z C    22.4338  -20.9146
            24  C1x C    23.6088  -22.9665
            25  C2y C    22.4279  -22.2829
            26  C2x C    21.2528  -20.2296
            27  C1a C    22.4221  -19.5461
            28  C2x C    21.2528  -22.9606
            29  C2x C    20.0773  -20.9146
            30  C5x C    20.0773  -22.2829
            31  O5x O    18.8906  -22.9547
            32  C1a C    32.5249  -15.1180
BOND        35
            1     1   5 1 #Down
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Up
            5     3   9 1
            6     4  10 1
            7     4  11 2
            8     5  12 1
            9     6  13 1
            10    7  14 1
            11   10  15 1
            12   12  16 1
            13   12  17 2
            14   13  18 1
            15   13  19 1
            16   14  20 1 #Up
            17   15  21 1
            18   16  22 1
            19   18  23 1
            20   19  24 1
            21   23  25 1
            22   23  26 1
            23   23  27 1 #Up
            24   25  28 2
            25   26  29 2
            26   28  30 1
            27   30  31 2
            28    6   9 1
            29   14  18 1
            30   24  25 1
            31   29  30 1
            32   22  32 1
            33    1   2 1
            34    1   3 1
            35    1   4 1 #Up

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