KEGG   DRUG: Loteprednol
Entry
D08147                      Drug                                   

Name
Loteprednol (INN)
Formula
C21H27ClO5
Exact mass
394.1547
Mol weight
394.8891
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: S01BA14
Chemical structure group: DG01127
Product (DG01127): D01689<US>
Efficacy
Anti-inflammatory (ophthalmic), 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]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA14 Loteprednol
      D08147  Loteprednol (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08147  Loteprednol (INN)
Other DBs
CAS: 129260-79-3
PubChem: 96024837
LigandBox: D08147
NIKKAJI: J561.829K
LinkDB
KCF data

ATOM        27
            1   C1z C    25.6200  -17.0800
            2   C1z C    24.5000  -17.7800
            3   C1x C    26.8100  -17.7800
            4   C7a C    25.6900  -15.7500
            5   O1a O    26.8800  -16.3800
            6   C1y C    24.5000  -19.1800
            7   C1x C    23.3100  -17.0800
            8   C1a C    24.4300  -16.3800
            9   C1x C    26.8100  -19.1800
            10  O7a O    24.5000  -14.9800
            11  O6a O    26.8800  -15.0500
            12  C1y C    23.2400  -19.8100
            13  C1y C    22.0500  -17.7100
            14  C1b C    23.3100  -15.6800
            15  C1y C    22.0500  -19.1100
            16  C1x C    23.2400  -21.1400
            17  O1a O    20.9300  -17.0800
            18  X   Cl   22.0500  -14.9800
            19  C1z C    20.8600  -19.8100
            20  C1x C    22.0500  -21.8400
            21  C2y C    20.8600  -21.1400
            22  C2x C    19.7400  -19.1100
            23  C1a C    20.8600  -18.4100
            24  C2x C    19.7400  -21.8400
            25  C2x C    18.5500  -19.8100
            26  C5x C    18.5500  -21.1400
            27  O5x O    17.3600  -21.8400
BOND        30
            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     6  12 1
            9     7  13 1
            10   10  14 1
            11   12  15 1
            12   12  16 1
            13   13  17 1 #Up
            14   14  18 1
            15   15  19 1
            16   16  20 1
            17   19  21 1
            18   19  22 1
            19   19  23 1 #Up
            20   21  24 2
            21   22  25 2
            22   24  26 1
            23   26  27 2
            24    6   9 1
            25   13  15 1
            26   20  21 1
            27   25  26 1
            28    1   2 1
            29    1   3 1
            30    1   4 1 #Up

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