| Entry |
|
|---|
| Name |
Amodiaquine (USP/INN) |
|---|
| Formula |
C20H22ClN3O
|
|---|
| Exact mass |
355.1451
|
|---|
| Mol weight |
355.86
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antimalarial |
|---|
| Comment |
Aminoquinoline derivative
|
|---|
| Target |
histamine N-methyltransferase (HNMT) [KO: K00546] |
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2C8 [HSA: 1558]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BA Aminoquinolines
P01BA06 Amodiaquine
D02922 Amodiaquine (USP/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01017 Amodiaquine
D02922 Amodiaquine
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Aminoquinoline
D02922 Amodiaquine (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02922
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01017 Amodiaquine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8y C 26.6077 -17.3706
2 C8y C 26.6077 -18.7714
3 N5x N 27.7984 -19.4719
4 C8x C 29.0592 -18.7714
5 C8x C 29.0592 -17.3706
6 C8y C 27.7984 -16.6702
7 C8x C 25.4170 -16.6702
8 C8x C 24.1562 -17.3706
9 C8y C 24.1562 -18.7714
10 C8x C 25.4170 -19.4719
11 X Cl 22.9655 -19.4719
12 N1b N 27.7984 -15.2693
13 C8y C 28.9891 -14.5689
14 C8x C 30.1799 -15.2693
15 C8y C 31.4406 -14.5689
16 C8y C 31.4406 -13.1680
17 C8x C 30.2499 -12.4676
18 C8x C 28.9891 -13.1680
19 O1a O 32.6314 -12.4676
20 C1b C 32.6314 -15.2693
21 N1c N 33.8221 -14.5689
22 C1b C 35.0128 -15.2693
23 C1b C 33.8221 -13.1680
24 C1a C 35.0128 -12.4676
25 C1a C 36.2035 -14.5689
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 9 11 1
13 6 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 15 20 1
23 20 21 1
24 21 22 1
25 21 23 1
26 23 24 1
27 22 25 1
|
|---|
