| Entry |
|
|---|
| Name |
Proguanil (INN) |
|---|
| Formula |
C11H16ClN5
|
|---|
| Exact mass |
253.1094
|
|---|
| Mol weight |
253.73
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiparasitic
DG01932 Antifolate, antiprotozoal
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antimalarial |
|---|
| Comment |
Biguanide
|
|---|
| Target |
dihydrofolate reductase [KO: K13998] |
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2C19 [HSA: 1557]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BB Biguanides
P01BB01 Proguanil
D08428 Proguanil (INN)
Drug groups [BR:br08330]
Antiparasitic
DG01932 Antifolate, antiprotozoal
DG01018 Proguanil
D08428 Proguanil
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01018 Proguanil
D08428 Proguanil
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Biguanide
D08428 Proguanil (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08428
Drug groups [BR:br08330]
Antiparasitic
DG01932 Antifolate, antiprotozoal
DG01018 Proguanil
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01018 Proguanil
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 17
1 C8x C 14.4565 -16.1592
2 C8y C 14.4565 -17.5634
3 C8x C 15.6725 -18.2655
4 C8x C 16.8887 -17.5634
5 C8y C 16.8887 -16.1592
6 C8x C 15.6725 -15.4571
7 X Cl 13.2404 -18.2655
8 N1b N 18.1235 -15.4461
9 C2c C 19.3323 -16.1439
10 N1b N 20.5181 -15.4590
11 N2a N 19.3327 -17.5630
12 C2c C 21.7157 -16.1504
13 N1b N 22.9072 -15.4623
14 N2a N 21.7159 -17.5631
15 C1c C 24.1019 -16.1521
16 C1a C 25.2902 -15.4661
17 C1a C 24.1021 -17.5698
BOND 17
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 9 11 2
12 10 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 15 16 1
17 15 17 1
|
|---|