KEGG   DRUG: Proguanil hydrochlorideHelp
Entry
D02487                      Drug                                   

Name
Proguanil hydrochloride (JAN);
Chloroguanide hydrochloride;
Paludrine (TN)
Formula
C11H16ClN5. HCl
Exact mass
289.0861
Mol weight
290.1922
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiparasitic
 DG01932  Antifolate, antiprotozoal
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
Remark
ATC code: P01BB01
Chemical structure group: DG01018
Product (mixture): D02472<JP/US>
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
      D02487  Proguanil hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 637-32-1
PubChem: 17396666
ChEMBL: CHEMBL1201059
DrugBank: DB01131
LigandBox: D02487
LinkDB All DBs
KCF data Show

ATOM        18
            1   X   Cl   30.2397  -16.7532
            2   C8x C    16.2400  -16.0300
            3   C8y C    16.2400  -17.4300
            4   C8x C    17.4300  -18.1300
            5   C8x C    18.6200  -17.4300
            6   C8y C    18.6200  -16.0300
            7   C8x C    17.4300  -15.3300
            8   X   Cl   14.9800  -18.1300
            9   N1b N    19.8800  -15.3300
            10  C2c C    21.0700  -16.0300
            11  N1b N    22.2600  -15.3300
            12  N2a N    21.0700  -17.4300
            13  C2c C    23.4500  -16.0300
            14  N1b N    24.7100  -15.3300
            15  N2a N    23.4500  -17.4300
            16  C1c C    25.9000  -16.0300
            17  C1a C    27.0900  -15.3300
            18  C1a C    25.9000  -17.4300
BOND        17
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     3   8 1
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 1
            14   13  15 2
            15   14  16 1
            16   16  17 1
            17   16  18 1

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