KEGG   DRUG: ProguanilHelp
Entry
D08428                      Drug                                   

Name
Proguanil (INN)
Formula
C11H16ClN5
Exact mass
253.1094
Mol weight
253.7312
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiparasitic
 DG01932  Antifolate, antiprotozoal
Enzyme substrate
 DG01639  CYP2C19 substrate
Remark
Same as: C07631
ATC code: P01BB01
Chemical structure group: DG01018
Efficacy
Antimalarial
Comment
Biguanide
Target
dihydrofolate reductase [KO:K13998]
  Pathway
ko00240  Pyrimidine metabolism
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis
Metabolism
Enzyme: CYP2C19 [HSA:1557]
Interaction
Drug 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)
BRITE hierarchy
Other DBs
CAS: 500-92-5
PubChem: 96025114
ChEBI: 8455
ChEMBL: CHEMBL1377
DrugBank: DB01131
LigandBox: D08428
NIKKAJI: J9.398J
LinkDB All DBs
KCF data Show

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

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