KEGG   DRUG: Cromoglicate lisetil
Entry
D02589                      Drug                                   

Name
Cromoglicate lisetil (INN)
Formula
C33H36N2O12
Exact mass
652.2268
Mol weight
652.6451
Structure
Simcomp
Class
Anti-allergic agent
 DG01805  Mediator release inhibitor
Remark
ATC code: A07EB01 D11AH03 R01AC01 R03BC01 S01GX01
Chemical structure group: DG00098
Product (DG00098): D00526<JP/US>
Efficacy
Antiallergic, Antiasthmatic, Chemical mediator release inhibitor
Comment
Inhibition of Clc chloride channel
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EB Antiallergic agents, excl. corticosteroids
     A07EB01 Cromoglicic acid
      D02589  Cromoglicate lisetil (INN)
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH03 Cromoglicic acid
      D02589  Cromoglicate lisetil (INN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AC Antiallergic agents, excl. corticosteroids
     R01AC01 Cromoglicic acid
      D02589  Cromoglicate lisetil (INN)
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BC Antiallergic agents, excl. corticosteroids
     R03BC01 Cromoglicic acid
      D02589  Cromoglicate lisetil (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX01 Cromoglicic acid
      D02589  Cromoglicate lisetil (INN)
Other DBs
CAS: 110816-79-0
PubChem: 17396760
ChEBI: 31438
ChEMBL: CHEMBL3560664
LigandBox: D02589
KCF data

ATOM        47
            1   C8y C    18.2700  -18.2000
            2   C8y C    18.2700  -19.6000
            3   C8y C    19.4600  -17.5000
            4   C8y C    17.0100  -17.4300
            5   O2x O    17.0100  -20.3000
            6   C8x C    19.4600  -20.3000
            7   O2a O    19.4600  -16.0300
            8   C8x C    20.6500  -18.2000
            9   C8x C    15.8200  -18.2000
            10  C8y C    15.8200  -19.6000
            11  C8x C    20.6500  -19.6000
            12  C1b C    20.9300  -16.0300
            13  C7a C    14.6300  -20.3000
            14  O7a O    13.3700  -19.6000
            15  C1b C    12.1800  -20.3000
            16  C1a C    10.9900  -19.6000
            17  O6a O    14.6300  -21.7000
            18  C1c C    21.5600  -14.8400
            19  O5x O    17.0100  -16.0300
            20  O2a O    23.6600  -16.0300
            21  C8y C    23.6600  -17.4300
            22  C8y C    24.8500  -18.1300
            23  C8x C    22.4700  -18.1300
            24  C8y C    24.8500  -19.5300
            25  C8y C    26.1100  -17.5000
            26  C8x C    22.4700  -19.5300
            27  O2x O    26.0400  -20.2300
            28  C8x C    23.6600  -20.2300
            29  C8x C    27.3000  -18.2000
            30  O5x O    26.1100  -16.1000
            31  C8y C    27.3000  -19.6000
            32  C7a C    28.4900  -20.3000
            33  O6a O    28.4900  -21.7000
            34  O7a O    29.6800  -19.6000
            35  C1b C    30.8700  -20.3000
            36  C1a C    32.1300  -19.6000
            37  C1b C    22.2600  -16.0300
            38  O7a O    21.5286  -13.4404
            39  C7a C    22.7480  -12.6992
            40  C1c C    23.9650  -13.3655
            41  O6a O    22.7156  -11.2704
            42  C1b C    25.1409  -12.6504
            43  C1b C    26.3687  -13.3224
            44  C1b C    27.5904  -12.5796
            45  C1b C    28.8188  -13.2521
            46  N1a N    23.9270  -14.7688
            47  N1a N    30.0404  -12.5096
BOND        50
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  11 1
            12    9  10 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   13  17 2
            19   12  18 1
            20    4  19 2
            21   27  31 1
            22   31  32 1
            23   32  33 2
            24   32  34 1
            25   26  28 2
            26   29  31 2
            27   34  35 1
            28   20  21 1
            29   35  36 1
            30   21  22 1
            31   20  37 1
            32   21  23 2
            33   22  24 2
            34   22  25 1
            35   23  26 1
            36   24  27 1
            37   24  28 1
            38   25  29 1
            39   25  30 2
            40   37  18 1
            41   18  38 1
            42   38  39 1
            43   39  40 1
            44   39  41 2
            45   40  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   40  46 1 #Down
            50   45  47 1

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