| Entry |
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| Name |
Quinine dihydrochloride;
Quinine (TN) |
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| Formula |
C20H24N2O2. 2HCl
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| Exact mass |
396.1371
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| Mol weight |
397.33
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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 |
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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
D08461 Quinine dihydrochloride
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D08461 Quinine dihydrochloride
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D08461 Quinine dihydrochloride
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D08461 Quinine dihydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08461
Drug transporters
D08461
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 26
1 C8y C 19.5300 -25.9000
2 C8y C 20.7900 -25.2000
3 C8y C 19.5300 -27.3000
4 C8x C 18.3400 -25.2000
5 C1c C 20.7900 -23.8000
6 C8x C 21.9800 -25.9000
7 C8x C 18.3400 -28.0000
8 N5x N 20.7200 -28.0000
9 C8y C 17.1500 -25.9000
10 C1y C 21.9800 -23.1000
11 O1a O 19.5300 -23.1000
12 C8x C 21.9800 -27.3000
13 C8x C 17.1500 -27.3000
14 O2a O 15.8900 -25.2000
15 N1y N 23.4500 -22.1900
16 C1x C 21.2800 -22.0500
17 C1a C 15.8900 -23.8000
18 C1x C 23.4500 -21.0000
19 C1x C 24.9200 -23.0300
20 C1y C 22.6800 -21.2100
21 C1y C 22.6800 -20.2300
22 C1x C 24.2200 -21.9100
23 C2b C 22.1200 -18.9000
24 C2a C 23.0300 -17.7800
25 X Cl 28.1400 -25.0600
26 X Cl 28.1400 -25.0600
BOND 27
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 14 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 18 21 1
21 19 22 1
22 21 23 1 #Up
23 23 24 2
24 8 12 2
25 9 13 2
26 20 21 1
27 20 22 1
BRACKET 1 26.8100 -25.6900 26.8100 -24.1500
1 28.7700 -24.1500 28.7700 -25.6900
1 2
ORIGINAL 1 26
REPEAT 1 27
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