| Entry |
|
|---|
| Name |
Quinine sulfate (USP);
Quinine sulfate hydrate (JP18);
Quinine hydrogen sulfate;
Coco-quinine (TN) |
|---|
| Product |
|
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| Generic |
|
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| Formula |
(C20H24N2O2)2. H2SO4. 2H2O
|
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| Exact mass |
782.3561
|
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| Mol weight |
782.9426
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG01019): | D02262<US> |
|
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| Efficacy |
Antimalarial |
|---|
| Disease |
|
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| Comment |
Methanolquinoline
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
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| Structure map |
| map07016 | Sulfonamide derivatives - sulfa drugs |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BC Methanolquinolines
P01BC01 Quinine
D02262 Quinine sulfate (USP) <US>
USP drug classification [BR:br08302]
Antiparasitics
Antiprotozoals
Quinine
D02262 Quinine sulfate (USP)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D02262 Quinine sulfate
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D02262 Quinine sulfate
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D02262 Quinine sulfate (USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02262 Quinine sulfate hydrate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02262
Drug transporters
D02262
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
D02262
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 55
1 S4a S 28.4620 -21.2500
2 O1d O 28.4620 -19.8500
3 O1d O 28.4620 -22.6500
4 O1d O 27.0619 -21.2500
5 O1d O 29.8619 -21.2500
6 O0 O 29.3300 -25.8300
7 C8y C 19.1100 -26.0400
8 C8y C 20.3700 -25.3400
9 C8y C 19.1100 -27.4400
10 C8x C 17.9200 -25.3400
11 C1c C 20.3700 -23.9400
12 C8x C 21.5600 -26.0400
13 C8x C 17.9200 -28.1400
14 N5x N 20.3000 -28.1400
15 C8y C 16.7300 -26.0400
16 C1y C 21.5600 -23.2400
17 O1a O 19.1100 -23.2400
18 C8x C 21.5600 -27.4400
19 C8x C 16.7300 -27.4400
20 O2a O 15.4700 -25.3400
21 N1y N 23.0300 -22.3300
22 C1x C 20.8600 -22.1900
23 C1a C 15.4700 -23.9400
24 C1x C 23.0300 -21.1400
25 C1x C 24.5000 -23.1700
26 C1y C 22.2600 -21.3500
27 C1y C 22.2600 -20.3700
28 C1x C 23.8000 -22.0500
29 C2b C 21.7000 -19.0400
30 C2a C 22.6100 -17.9200
31 O0 O 29.3300 -25.8300
32 C8y C 19.1100 -26.0400
33 C8y C 20.3700 -25.3400
34 C1c C 20.3700 -23.9400
35 C1y C 21.5600 -23.2400
36 N1y N 23.0300 -22.3300
37 C1x C 23.0300 -21.1400
38 C1y C 22.2600 -20.3700
39 C2b C 21.7000 -19.0400
40 C2a C 22.6100 -17.9200
41 C1y C 22.2600 -21.3500
42 C1x C 20.8600 -22.1900
43 C1x C 23.8000 -22.0500
44 C1x C 24.5000 -23.1700
45 O1a O 19.1100 -23.2400
46 C8x C 21.5600 -26.0400
47 C8x C 21.5600 -27.4400
48 N5x N 20.3000 -28.1400
49 C8y C 19.1100 -27.4400
50 C8x C 17.9200 -28.1400
51 C8x C 16.7300 -27.4400
52 C8y C 16.7300 -26.0400
53 C8x C 17.9200 -25.3400
54 O2a O 15.4700 -25.3400
55 C1a C 15.4700 -23.9400
BOND 58
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 7 8 1
6 7 9 1
7 7 10 2
8 8 11 1
9 8 12 2
10 9 13 2
11 9 14 1
12 10 15 1
13 11 16 1
14 11 17 1 #Up
15 12 18 1
16 13 19 1
17 15 20 1
18 16 21 1
19 16 22 1
20 20 23 1
21 21 24 1
22 21 25 1
23 22 26 1
24 24 27 1
25 25 28 1
26 27 29 1 #Up
27 29 30 2
28 14 18 2
29 15 19 2
30 26 27 1
31 26 28 1
32 32 33 1
33 32 49 1
34 32 53 2
35 33 34 1
36 33 46 2
37 49 50 2
38 49 48 1
39 53 52 1
40 34 35 1
41 34 45 1 #Up
42 46 47 1
43 50 51 1
44 52 54 1
45 35 36 1
46 35 42 1
47 54 55 1
48 36 37 1
49 36 44 1
50 42 41 1
51 37 38 1
52 44 43 1
53 38 39 1 #Up
54 39 40 2
55 48 47 2
56 52 51 2
57 41 38 1
58 41 43 1
BRACKET 1 26.8800 -26.8100 26.8800 -24.9200
1 30.1000 -24.9200 30.1000 -26.8100
1 2
ORIGINAL 1 6
REPEAT 1 32
2 14.9800 -28.3500 14.9800 -17.5000
2 24.6400 -17.5000 24.6400 -28.3500
2 2
ORIGINAL 2 7 8 11 16 21 24 27 29 30 26 22 28 25 31 17 12
2 18 14 9 13 19 15 10 20 23
REPEAT 2 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
2 49 50 51 52 53 54 55 56 57
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