KEGG   DRUG: Chloroquine
Entry
D02366                      Drug                                   

Name
Chloroquine (USP/INN)
Formula
C18H26ClN3
Exact mass
319.1815
Mol weight
319.8721
Structure
Simcomp
Remark
Same as: C07625
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Amebicide
Comment
Aminoquinoline derivative
Interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA01 Chloroquine
      D02366  Chloroquine (USP/INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D02366  Chloroquine (USP/INN)
Other DBs
CAS: 54-05-7
PubChem: 7849425
ChEBI: 3638
ChEMBL: CHEMBL76
DrugBank: DB00608
LigandBox: D02366
NIKKAJI: J107.997B
LinkDB
KCF data

ATOM        22
            1   N1b N    26.3944  -14.2238
            2   C1c C    27.6025  -13.5295
            3   C1b C    28.8103  -14.2296
            4   C1a C    27.6083  -12.1290
            5   C1b C    30.0243  -13.5352
            6   C1b C    31.2262  -14.2355
            7   N1c N    32.4401  -13.5470
            8   C1b C    33.6479  -14.2471
            9   C1b C    32.3758  -12.1464
            10  C1a C    34.8560  -13.5527
            11  C1a C    33.5838  -11.4521
            12  C8y C    26.3921  -15.6502
            13  C8y C    25.1585  -16.3601
            14  C8y C    25.1565  -17.7569
            15  N5x N    26.3651  -18.4570
            16  C8x C    27.5988  -17.7472
            17  C8x C    27.6008  -16.3503
            18  C8x C    23.9488  -15.6617
            19  C8x C    22.7392  -16.3601
            20  C8y C    22.7392  -17.7569
            21  C8x C    23.9488  -18.4553
            22  X   Cl   21.5275  -18.4565
BOND        23
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   12  17 2
            18   13  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  14 1
            23   20  22 1

» Japanese version   » Back

KEGG   DRUG: Chloroquine phosphate
Entry
D02125                      Drug                                   

Name
Chloroquine phosphate (USP);
Aralen (TN)
Product
  Generic
Formula
C18H26ClN3. 2H3PO4
Exact mass
515.1353
Mol weight
515.8625
Structure
Remark
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Amebicide
  Disease
Malaria [DS:H00361]
Amebiasis [DS:H00360]
Comment
Aminoquinoline derivative
Interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA01 Chloroquine
      D02125  Chloroquine phosphate (USP) <US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Chloroquine
    D02125  Chloroquine phosphate (USP)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D02125  Chloroquine phosphate (USP) <US>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02125
Other DBs
CAS: 50-63-5
PubChem: 7849186
ChEMBL: CHEMBL58510
DrugBank: DB00608
LigandBox: D02125
NIKKAJI: J231.234D
LinkDB
KCF data

ATOM        32
            1   P1b P    29.7482  -17.6335
            2   O1c O    29.7482  -16.2345
            3   O1c O    28.3494  -17.6335
            4   O1c O    31.1473  -17.6335
            5   O1c O    29.7482  -19.0325
            6   N1b N    22.7560  -14.2251
            7   C1c C    23.9642  -13.5307
            8   C1b C    25.1722  -14.2309
            9   C1a C    23.9700  -12.1300
            10  C1b C    26.3863  -13.5364
            11  C1b C    27.5884  -14.2368
            12  N1c N    28.8024  -13.5482
            13  C1b C    30.0104  -14.2484
            14  C1b C    28.7381  -12.1474
            15  C1a C    31.2186  -13.5539
            16  C1a C    29.9463  -11.4530
            17  C8y C    22.7537  -15.6517
            18  C8y C    21.5199  -16.3617
            19  C8y C    21.5179  -17.7586
            20  N5x N    22.7267  -18.4588
            21  C8x C    23.9605  -17.7489
            22  C8x C    23.9625  -16.3519
            23  C8x C    20.3101  -15.6632
            24  C8x C    19.1003  -16.3617
            25  C8y C    19.1003  -17.7586
            26  C8x C    20.3101  -18.4571
            27  X   Cl   17.8885  -18.4583
            28  P1b P    29.7482  -17.6335
            29  O1c O    29.7482  -16.2345
            30  O1c O    28.3494  -17.6335
            31  O1c O    31.1473  -17.6335
            32  O1c O    29.7482  -19.0325
BOND        31
            1     6   7 1
            2     7   8 1
            3     7   9 1
            4     8  10 1
            5    10  11 1
            6    11  12 1
            7    12  13 1
            8    12  14 1
            9    13  15 1
            10   14  16 1
            11    6  17 1
            12   17  18 1
            13   18  19 2
            14   19  20 1
            15   20  21 2
            16   21  22 1
            17   17  22 2
            18   18  23 1
            19   23  24 2
            20   24  25 1
            21   25  26 2
            22   26  19 1
            23   25  27 1
            24    1   2 2
            25    1   3 1
            26    1   4 1
            27    1   5 1
            28   28  29 2
            29   28  30 1
            30   28  31 1
            31   28  32 1
BRACKET     1    27.0200  -19.5300   27.0200  -15.4700
            1    32.4100  -15.4700   32.4100  -19.5300
            1  2
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1   28  29  30  31  32

» Japanese version   » Back

KEGG   DRUG: Chloroquine hydrochloride
Entry
D03469                      Drug                                   

Name
Chloroquine hydrochloride (USP);
Aralen hydrochloride (TN)
Formula
C18H26ClN3. 2HCl
Exact mass
391.1349
Mol weight
392.794
Structure
Simcomp
Remark
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Amebicide
Comment
Aminoquinoline derivative
Interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA01 Chloroquine
      D03469  Chloroquine hydrochloride (USP)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D03469  Chloroquine hydrochloride (USP)
Other DBs
CAS: 3545-67-3
PubChem: 17397607
ChEMBL: CHEMBL4297165
DrugBank: DB00608
LigandBox: D03469
NIKKAJI: J383.162K
LinkDB
KCF data

ATOM        24
            1   X   Cl   33.2635  -16.9756
            2   N1b N    26.3943  -14.2238
            3   C1c C    27.6024  -13.5295
            4   C1b C    28.8102  -14.2296
            5   C1a C    27.6082  -12.1290
            6   C1b C    30.0242  -13.5352
            7   C1b C    31.2261  -14.2355
            8   N1c N    32.4400  -13.5470
            9   C1b C    33.6478  -14.2471
            10  C1b C    32.3757  -12.1464
            11  C1a C    34.8559  -13.5527
            12  C1a C    33.5837  -11.4521
            13  C8y C    26.3920  -15.6501
            14  C8y C    25.1585  -16.3600
            15  C8y C    25.1565  -17.7568
            16  N5x N    26.3650  -18.4569
            17  C8x C    27.5987  -17.7471
            18  C8x C    27.6007  -16.3502
            19  C8x C    23.9488  -15.6616
            20  C8x C    22.7392  -16.3600
            21  C8y C    22.7392  -17.7568
            22  C8x C    23.9488  -18.4552
            23  X   Cl   21.5275  -18.4564
            24  X   Cl   33.2635  -16.9756
BOND        23
            1     2   3 1
            2     3   4 1
            3     3   5 1
            4     4   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 1
            11    2  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   13  18 2
            18   14  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  15 1
            23   21  23 1
BRACKET     1    31.5000  -17.7100   31.5000  -16.1700
            1    34.0200  -16.1700   34.0200  -17.7100
            1  2
 ORIGINAL  1    1
 REPEAT    1   24

» Japanese version   » Back

KEGG   DRUG: Chloroquine sulfate
Entry
D07680                      Drug                                   

Name
Chloroquine sulfate;
Nivaquine (TN)
Formula
C18H26ClN3. H2SO4
Exact mass
417.1489
Mol weight
417.9506
Structure
Simcomp
Remark
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Antirheumatic
Comment
Aminoquinoline derivative
Interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA01 Chloroquine
      D07680  Chloroquine sulfate
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D07680  Chloroquine sulfate
Other DBs
CAS: 132-73-0
PubChem: 51091982
ChEMBL: CHEMBL2095223
LigandBox: D07680
NIKKAJI: J623.714B
LinkDB
KCF data

ATOM        27
            1   S4a S    29.5791  -20.4887
            2   O1d O    28.1806  -20.4887
            3   O1d O    30.9776  -20.4887
            4   O1d O    29.5791  -19.0902
            5   O1d O    29.5791  -21.8872
            6   N1b N    22.1669  -17.5518
            7   C1c C    23.3556  -16.8526
            8   C1b C    24.5444  -17.5518
            9   C1a C    23.3556  -15.4541
            10  C1b C    25.8030  -16.8526
            11  C1b C    26.9918  -17.5518
            12  N1c N    28.1806  -16.8526
            13  C1b C    29.4392  -17.5518
            14  C1b C    28.1806  -15.4541
            15  C1a C    30.6280  -16.9225
            16  C1a C    29.4392  -14.8247
            17  C8y C    22.1669  -18.9503
            18  C8y C    20.9082  -19.7195
            19  C8y C    20.9082  -21.1180
            20  N5x N    22.1669  -21.8173
            21  C8x C    23.3556  -21.0481
            22  C8x C    23.3556  -19.6496
            23  C8x C    19.7195  -19.0203
            24  C8x C    18.5308  -19.7195
            25  C8y C    18.5308  -21.1180
            26  C8x C    19.7195  -21.8173
            27  X   Cl   17.2721  -21.8173
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     7   9 1
            8     8  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   12  14 1
            13   13  15 1
            14   14  16 1
            15    6  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   17  22 2
            22   18  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  19 1
            27   25  27 1

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