KEGG   DRUG: HalofantrineHelp
Entry
D08033                      Drug                                   

Name
Halofantrine (INN)
Formula
C26H30Cl2F3NO
Exact mass
499.1657
Mol weight
500.4237
Structure
Mol fileKCF fileDB search
Simcomp 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]
Drug interaction
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)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08033
BRITE hierarchy
Other DBs
CAS: 69756-53-2
PubChem: 96024726
ChEBI: 5612
ChEMBL: CHEMBL1107
DrugBank: DB01218
LigandBox: D08033
NIKKAJI: J18.879D
KCF data Show

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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