| Entry |
|
|---|
| Name |
Quinine (BAN);
Kinder Quinina (TN) |
|---|
| Formula |
C20H24N2O2
|
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| Exact mass |
324.1838
|
|---|
| Mol weight |
324.4168
|
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| Structure |
|
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| Simcomp |
|
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| Source |
Cinchona [TAX: 43462], Cinchona calisaya [TAX: 153742], Cinchona succirubra, Cinchona calisaya
|
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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 |
|---|
| Comment |
Methanolquinoline
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
|---|
| 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
D08460 Quinine (BAN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D08460 Quinine
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D08460 Quinine
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D08460 Quinine (BAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08460
Drug transporters
D08460
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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| KCF data |
ATOM 24
1 C8y C 25.1988 -26.8161
2 C8y C 26.4550 -26.1182
3 C8y C 25.1988 -28.2118
4 C8x C 24.0125 -26.1182
5 C1c C 26.4550 -24.7225
6 C8x C 27.6414 -26.8161
7 C8x C 24.0125 -28.9097
8 N5x N 26.3852 -28.9097
9 C8y C 22.8261 -26.8161
10 C1y C 27.6414 -24.0246
11 O1a O 25.1988 -24.0246
12 C8x C 27.6414 -28.2118
13 C8x C 22.8261 -28.2118
14 O2a O 21.5699 -26.1182
15 N1y N 29.1069 -23.1174
16 C1x C 26.9435 -22.9778
17 C1a C 21.5699 -24.7225
18 C1x C 29.1069 -21.9310
19 C1x C 30.5724 -23.9548
20 C1y C 28.3392 -22.1404
21 C1y C 28.3392 -21.1634
22 C1x C 29.8745 -22.8383
23 C2b C 27.7809 -19.8374
24 C2a C 28.6882 -18.7208
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 2
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 1
26 20 21 1
27 20 22 1
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