| Entry |
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| Name |
Quinine ethylcarbonate (JP18);
Quinine ethylcarbonate (TN) |
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| Formula |
C23H28N2O4
|
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| Exact mass |
396.2049
|
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| Mol weight |
396.4794
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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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| 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 |
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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
D01663 Quinine ethylcarbonate (JP18)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D01663 Quinine ethylcarbonate
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D01663 Quinine ethylcarbonate
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D01663 Quinine ethylcarbonate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01663 Quinine ethyl carbonate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01663
Drug transporters
D01663
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 29
1 C8y C 21.8064 -25.9012
2 C8y C 23.0246 -25.2084
3 C8y C 21.8705 -27.3002
4 C8x C 20.6069 -25.2024
5 C1c C 23.0305 -23.8094
6 C8x C 24.2370 -25.9071
7 C8x C 20.6069 -28.0056
8 N5x N 23.0130 -28.0056
9 C8y C 19.3885 -25.9012
10 C1y C 24.2486 -23.1096
11 O7a O 21.8181 -23.0980
12 C8x C 24.2312 -27.3116
13 C8x C 19.3885 -27.3002
14 O2a O 18.1761 -25.2024
15 N1y N 25.6825 -22.2348
16 C1x C 23.5208 -22.0717
17 C1a C 18.1761 -23.8036
18 C1x C 25.6825 -21.0061
19 C1x C 27.1802 -23.0397
20 C1y C 24.9312 -21.2390
21 C1y C 24.9371 -20.2479
22 C1x C 26.4874 -21.9320
23 C7a C 20.6055 -22.3970
24 O7a O 20.6064 -20.9966
25 O6a O 19.3916 -23.0927
26 C1b C 19.3932 -20.2923
27 C1a C 19.3941 -18.8920
28 C2b C 24.4033 -18.9511
29 C2a C 25.2638 -17.8430
BOND 32
1 3 8 1
2 4 9 1
3 5 10 1
4 5 11 1 #Up
5 6 12 1
6 7 13 1
7 9 14 1
8 10 15 1
9 10 16 1
10 14 17 1
11 15 18 1
12 15 19 1
13 16 20 1
14 18 21 1
15 19 22 1
16 8 12 2
17 9 13 2
18 20 21 1
19 20 22 1
20 11 23 1
21 1 2 1
22 23 24 1
23 1 3 1
24 23 25 2
25 1 4 2
26 24 26 1
27 2 5 1
28 26 27 1
29 2 6 2
30 21 28 1 #Up
31 3 7 2
32 28 29 2
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