| Entry |
|
|---|
| Name |
Amodiaquine hydrochloride (USP);
Camoquin hydrochloride (TN) |
|---|
| Formula |
C20H22ClN3O. 2HCl. 2H2O
|
|---|
| Exact mass |
463.1196
|
|---|
| Mol weight |
464.8136
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antimalarial |
|---|
| Comment |
Aminoquinoline derivative
|
|---|
| Target |
histamine N-methyltransferase (HNMT) [KO: K00546] |
|---|
| Metabolism |
Enzyme: CYP2C8 [HSA: 1558]
|
|---|
| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BA Aminoquinolines
P01BA06 Amodiaquine
D02466 Amodiaquine hydrochloride (USP)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01017 Amodiaquine
D02466 Amodiaquine hydrochloride
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Aminoquinoline
D02466 Amodiaquine hydrochloride (USP)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02466
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01017 Amodiaquine
|
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| Other DBs |
|
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| KCF data |
ATOM 29
1 X Cl 27.0900 -15.2600
2 O0 O 27.4400 -17.7800
3 C8y C 13.0900 -17.8500
4 C8y C 13.0900 -19.2500
5 N5x N 14.3024 -19.9500
6 C8x C 15.5149 -19.2500
7 C8x C 15.5149 -17.8500
8 C8y C 14.3024 -17.1500
9 C8x C 11.8776 -17.1500
10 C8x C 10.6651 -17.8500
11 C8y C 10.6651 -19.2500
12 C8x C 11.8776 -19.9500
13 X Cl 9.4340 -19.9610
14 N1b N 14.3024 -15.7502
15 C8y C 15.4980 -15.0598
16 C8x C 16.6852 -15.7452
17 C8y C 17.8976 -15.0453
18 C8y C 17.8977 -13.6453
19 C8x C 16.7105 -12.9598
20 C8x C 15.4981 -13.6598
21 O1a O 19.1246 -12.9367
22 C1b C 19.1288 -15.7562
23 N1c N 20.3298 -15.0629
24 C1b C 21.5143 -15.7468
25 C1b C 20.3301 -13.6503
26 C1a C 21.5200 -12.9633
27 C1a C 22.7071 -15.0581
28 X Cl 27.0900 -15.2600
29 O0 O 27.4400 -17.7800
BOND 27
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 3 8 1
7 3 9 1
8 9 10 2
9 10 11 1
10 11 12 2
11 4 12 1
12 11 13 1
13 8 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 15 20 1
21 18 21 1
22 17 22 1
23 22 23 1
24 23 24 1
25 23 25 1
26 25 26 1
27 24 27 1
BRACKET 1 25.2700 -16.0300 25.2700 -14.3500
1 28.0700 -14.3500 28.0700 -16.0300
1 2
ORIGINAL 1 1
REPEAT 1 28
2 24.9200 -18.5500 24.9200 -17.0100
2 28.4900 -17.0100 28.4900 -18.5500
2 2
ORIGINAL 2 2
REPEAT 2 29
|
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