KEGG   DRUG: Halofantrine hydrochlorideHelp
Entry
D02485                      Drug                                   

Name
Halofantrine hydrochloride (USAN);
Halfan (TN)
Formula
C26H30Cl2F3NO. HCl
Exact mass
535.1423
Mol weight
536.8847
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
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
      D02485  Halofantrine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 36167-63-2
PubChem: 17396664
ChEMBL: CHEMBL1200901
DrugBank: DB01218
LigandBox: D02485
NIKKAJI: J321.691H
LinkDB All DBs
KCF data Show

ATOM        34
            1   X   Cl   41.0900  -12.8100
            2   C8y C    24.3600  -13.9300
            3   C8x C    24.3600  -15.3300
            4   C8y C    25.5724  -16.0300
            5   C8y C    26.7849  -15.3300
            6   C8y C    26.7849  -13.9300
            7   C8x C    25.5724  -13.2300
            8   C8x C    27.9973  -16.0300
            9   C8y C    29.2097  -15.3300
            10  C8y C    29.2097  -13.9300
            11  C8y C    27.9973  -13.2300
            12  C8x C    30.4222  -13.2300
            13  C8x C    30.4222  -11.8300
            14  C8y C    29.2097  -11.1300
            15  C8x C    27.9973  -11.8300
            16  X   Cl   23.1476  -13.2300
            17  X   Cl   25.5724  -17.4298
            18  C1d C    29.2097   -9.7301
            19  X   F    29.2097   -8.3301
            20  X   F    27.7900   -9.7301
            21  X   F    30.5900   -9.7301
            22  C1c C    30.4073  -16.0215
            23  C1b C    31.5956  -15.3355
            24  O1a O    30.4074  -17.4297
            25  C1b C    32.7864  -16.0231
            26  N1c N    33.9760  -15.3363
            27  C1b C    35.1661  -16.0235
            28  C1b C    33.9762  -13.9302
            29  C1b C    36.3562  -15.3365
            30  C1b C    37.5461  -16.0237
            31  C1a C    38.7362  -15.3365
            32  C1b C    35.1690  -13.2415
            33  C1b C    35.1693  -11.8303
            34  C1a C    36.3598  -11.1429
BOND        35
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   11  15 1
            17    2  16 1
            18    4  17 1
            19   14  18 1
            20   18  19 1
            21   18  20 1
            22   18  21 1
            23    9  22 1
            24   22  23 1
            25   22  24 1
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   26  28 1
            30   27  29 1
            31   29  30 1
            32   30  31 1
            33   28  32 1
            34   32  33 1
            35   33  34 1

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