| Entry |
|
|---|
| Name |
Hydroxychloroquine (INN);
Polirreumin (TN) |
|---|
| Formula |
C18H26ClN3O
|
|---|
| Exact mass |
335.1764
|
|---|
| Mol weight |
335.8715
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01015): | D02114<JP/US> |
|
|---|
| Efficacy |
Antimalarial |
|---|
| Comment |
Aminoquinoline derivative
|
|---|
| Metabolism |
Enzyme: CYP2C8 [HSA: 1558], CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BA Aminoquinolines
P01BA02 Hydroxychloroquine
D08050 Hydroxychloroquine (INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01015 Hydroxychloroquine
D08050 Hydroxychloroquine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01015 Hydroxychloroquine
D08050 Hydroxychloroquine
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Aminoquinoline
D08050 Hydroxychloroquine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08050
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01015 Hydroxychloroquine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01015 Hydroxychloroquine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8x C 18.1300 -19.3200
2 C8y C 18.1300 -20.7200
3 C8x C 19.3200 -21.4200
4 C8y C 20.5800 -20.7200
5 C8y C 20.5800 -19.3200
6 C8x C 19.3200 -18.6200
7 N5x N 21.7700 -21.4200
8 C8x C 23.0300 -20.7200
9 C8x C 23.0300 -19.3200
10 C8y C 21.7700 -18.6200
11 X Cl 16.9400 -21.4200
12 N1b N 21.7700 -17.2200
13 C1c C 23.0300 -16.5200
14 C1b C 24.2200 -17.2200
15 C1a C 23.0300 -15.1200
16 C1b C 25.4100 -16.5200
17 C1b C 26.6000 -17.2200
18 N1c N 27.7900 -16.5200
19 C1b C 28.9800 -17.2200
20 C1b C 30.1700 -16.5200
21 O1a O 31.3600 -17.2200
22 C1b C 27.7900 -15.1200
23 C1a C 28.9800 -14.4200
BOND 24
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 13 15 1
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 18 22 1
24 22 23 1
|
|---|
