Entry |
|
Name |
Halofantrine (INN) |
Formula |
C26H30Cl2F3NO
|
Exact mass |
499.1657
|
Mol weight |
500.4237
|
Structure |
|
Simcomp |
|
Class |
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
Remark |
|
Efficacy |
Antimalarial |
Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
Structure map |
|
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 groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG01021 Halofantrine
D08033 Halofantrine
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Other antimalarials
D08033 Halofantrine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08033
Drug groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG01021 Halofantrine
|
Other DBs |
|
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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