KEGG   DRUG: Halofantrine
Entry
D08033                      Drug                                   

Name
Halofantrine (INN)
Formula
C26H30Cl2F3NO
Exact mass
499.1657
Mol weight
500.4237
Structure
Simcomp
Class
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07634
ATC code: P01BX01
Chemical structure group: DG01021
Efficacy
Antimalarial
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BX Other antimalarials
     P01BX01 Halofantrine
      D08033  Halofantrine (INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Other antimalarials
    D08033  Halofantrine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08033
Other DBs
CAS: 69756-53-2
PubChem: 96024726
ChEBI: 5612
ChEMBL: CHEMBL1107
DrugBank: DB01218
LigandBox: D08033
NIKKAJI: J18.879D
LinkDB
KCF data

ATOM        33
            1   C8y C    12.0153  -17.1933
            2   C8x C    12.0153  -18.5914
            3   C8y C    13.2036  -19.2904
            4   C8y C    14.4619  -18.5914
            5   C8y C    14.4619  -17.1933
            6   C8x C    13.2036  -16.4943
            7   C8x C    15.6502  -19.2904
            8   C8y C    16.9084  -18.5914
            9   C8y C    16.9084  -17.1933
            10  C8y C    15.6502  -16.4943
            11  C8x C    18.1667  -16.4943
            12  C8x C    18.1667  -15.0963
            13  C8y C    16.9084  -14.3973
            14  C8x C    15.6502  -15.0963
            15  X   Cl   10.8270  -16.4943
            16  X   Cl   13.2036  -20.6884
            17  C1d C    16.9084  -12.9992
            18  X   F    16.9084  -11.6012
            19  X   F    15.4405  -12.9992
            20  X   F    18.3065  -12.9992
            21  C1c C    18.0968  -19.2904
            22  C1b C    19.2851  -18.5914
            23  O1a O    18.0968  -20.6884
            24  C1b C    20.4734  -19.2904
            25  N1c N    21.6617  -18.5914
            26  C1b C    22.8501  -19.2904
            27  C1b C    21.6617  -17.1933
            28  C1b C    24.0384  -18.5914
            29  C1b C    25.2267  -19.2904
            30  C1a C    26.4150  -18.5914
            31  C1b C    22.8501  -16.4943
            32  C1b C    22.8501  -15.0963
            33  C1a C    24.0384  -14.3973
BOND        35
            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    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17    1  15 1
            18    3  16 1
            19   13  17 1
            20   17  18 1
            21   17  19 1
            22   17  20 1
            23    8  21 1
            24   21  22 1
            25   21  23 1
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1
            30   26  28 1
            31   28  29 1
            32   29  30 1
            33   27  31 1
            34   31  32 1
            35   32  33 1

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