KEGG   DRUG: Mepacrine
Entry
D08179                      Drug                                   
Name
Mepacrine (INN);
Quinacrin
Formula
C23H30ClN3O
Exact mass
399.2077
Mol weight
399.9568
Structure
Simcomp
Remark
Same as: C07339
ATC code: P01AX05
Chemical structure group: DG01012
Efficacy
Antimalarial, Antiprotozoal
Comment
Acridine derivative
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX05 Mepacrine
      D08179  Mepacrine (INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Others
    D08179  Mepacrine (INN)
Other DBs
CAS: 83-89-6
PubChem: 96024869
ChEBI: 8711
LigandBox: D08179
NIKKAJI: J3.877F
LinkDB
KCF data

ATOM        28
            1   C8x C    18.7600  -19.3200
            2   C8y C    18.7600  -20.7900
            3   C8x C    19.9500  -21.4900
            4   C8y C    21.1400  -20.7900
            5   C8y C    21.1400  -19.3200
            6   C8x C    19.9500  -18.6200
            7   N5x N    22.4000  -21.4900
            8   C8y C    23.5900  -20.7900
            9   C8y C    23.5900  -19.3200
            10  C8y C    22.4000  -18.6200
            11  C8x C    24.7800  -21.4900
            12  C8x C    26.0400  -20.7900
            13  C8y C    26.0400  -19.3200
            14  C8x C    24.7800  -18.6200
            15  X   Cl   17.5000  -21.4900
            16  O2a O    27.2300  -18.6200
            17  C1a C    28.4900  -19.3200
            18  N1b N    22.4000  -17.2200
            19  C1c C    23.5900  -16.5200
            20  C1b C    24.7800  -17.2200
            21  C1a C    23.5900  -15.1200
            22  C1b C    25.9700  -16.5200
            23  C1b C    27.1600  -17.2200
            24  N1c N    28.3500  -16.5200
            25  C1b C    29.6100  -17.2200
            26  C1b C    28.3500  -15.1200
            27  C1a C    29.6100  -14.4200
            28  C1a C    30.8000  -16.5200
BOND        30
            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    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    2  15 1
            18   13  16 1
            19   16  17 1
            20   10  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   26  27 1
            30   25  28 1

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KEGG   DRUG: Mepacrine dihydrochloride
Entry
D02548                      Drug                                   
Name
Mepacrine dihydrochloride;
Quinacrine hydrochloride anhydrous;
Giardiasis (TN)
Formula
C23H30ClN3O. 2HCl
Exact mass
471.1611
Mol weight
472.8787
Structure
Simcomp
Remark
ATC code: P01AX05
Chemical structure group: DG01012
Efficacy
Antimalarial, Antiprotozoal
Comment
Acridine derivative
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX05 Mepacrine
      D02548  Mepacrine dihydrochloride
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Others
    D02548  Mepacrine dihydrochloride
Other DBs
CAS: 69-05-6
PubChem: 17396719
LigandBox: D02548
NIKKAJI: J231.459B
LinkDB
KCF data

ATOM        30
            1   C8x C     8.6100   -7.2100
            2   C8y C     8.6100   -8.6100
            3   C8x C     9.8224   -9.3100
            4   C8y C    11.0349   -8.6100
            5   C8y C    11.0349   -7.2100
            6   C8x C     9.8224   -6.5100
            7   N5x N    12.2473   -9.3100
            8   C8y C    13.4597   -8.6100
            9   C8y C    13.4597   -7.2100
            10  C8y C    12.2473   -6.5100
            11  C8x C    14.6722   -9.3100
            12  C8x C    15.8846   -8.6100
            13  C8y C    15.8846   -7.2100
            14  C8x C    14.6722   -6.5100
            15  X   Cl    7.3976   -9.3100
            16  O2a O    17.1011   -6.5077
            17  C1a C    18.2986   -7.1992
            18  N1b N    12.2473   -5.1100
            19  C1c C    13.4618   -4.4088
            20  C1b C    14.6583   -5.0998
            21  C1a C    13.4618   -3.0102
            22  C1b C    15.8451   -4.4146
            23  C1b C    17.0366   -5.1028
            24  N1c N    18.2260   -4.4161
            25  C1b C    19.4162   -5.1035
            26  C1b C    18.2262   -3.0102
            27  C1a C    19.4190   -2.3216
            28  C1a C    20.6062   -4.4165
            29  X   Cl   22.3300   -7.5600
            30  X   Cl   22.3300   -7.5600
BOND        30
            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    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    2  15 1
            18   13  16 1
            19   16  17 1
            20   10  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   26  27 1
            30   25  28 1
BRACKET     1    20.7900   -8.3300   20.7900   -6.7200
            1    23.1700   -6.7200   23.1700   -8.3300
            1  2
 ORIGINAL  1   29
 REPEAT    1   30

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