KEGG   DRUG: Clioquinol
Entry
D03538                      Drug                                   
Name
Clioquinol (USP/INN)
Formula
C9H5ClINO
Exact mass
304.9104
Mol weight
305.4996
Structure
Simcomp
Remark
ATC code: D08AH30 D09AA10 G01AC02 P01AA02 S02AA05
Efficacy
Amebicide, Antifungal
Comment
Quinoline derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AH Quinoline derivatives
     D08AH30 Clioquinol
      D03538  Clioquinol (USP/INN)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA10 Clioquinol
      D03538  Clioquinol (USP/INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AC Quinoline derivatives
     G01AC02 Clioquinol
      D03538  Clioquinol (USP/INN)
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AA Hydroxyquinoline derivatives
     P01AA02 Clioquinol
      D03538  Clioquinol (USP/INN)
 S SENSORY ORGANS
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA05 Clioquinol
      D03538  Clioquinol (USP/INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Hydroxyquinoline derivatives
    D03538  Clioquinol (USP/INN)
Other DBs
CAS: 130-26-7
PubChem: 47205849
ChEBI: 74460
PDB-CCD: CQL[PDBj]
LigandBox: D03538
NIKKAJI: J5.432A
KCF data

ATOM        13
            1   C8y C    21.2803  -18.4105
            2   C8x C    21.2803  -19.8105
            3   C8y C    22.4927  -20.5105
            4   C8y C    23.7052  -19.8105
            5   C8y C    23.7052  -18.4105
            6   C8y C    22.4927  -17.7104
            7   C8x C    24.9176  -20.5105
            8   C8x C    26.1301  -19.8105
            9   C8x C    26.1301  -18.4105
            10  N5x N    24.9176  -17.7104
            11  O1a O    22.4927  -16.3106
            12  X   I    20.0678  -17.7104
            13  X   Cl   22.4927  -21.9104
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13    1  12 1
            14    3  13 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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