Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5360)
Drug Name
Chlorproguanil
Synonyms
Chlorproguanilum; Clorpreguanile; Clorproguanil; Lapudrine; Clorpreguanile [DCIT]; Unspecified HCl of chlorproguanil; Chlorproguanil [INN:BAN]; Chlorproguanilum [INN-Latin]; Clorproguanil [INN-Spanish]; N-(3,4-dichlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide; 1-(3,4-Dichlorophenyl)-5-isopropylbiguanide
Indication Malaria [ICD11: 1F40-1F45] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 288.17 Topological Polar Surface Area 88.8
Heavy Atom Count 18 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
9571037
ChEBI ID
CHEBI:135192
CAS Number
537-21-3
TTD Drug ID
D0Y2DI
Formula
C11H15Cl2N5
Canonical SMILES
CC(C)N=C(N)/N=C(\\N)/NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
InChIKey
ISZNZKHCRKXXAU-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Chlorcycloguanil DM014923
9048
Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007876 Chlorproguanil Chlorcycloguanil Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
2 The role of S-mephenytoin hydroxylase (CYP2C19) in the metabolism of the antimalarial biguanides. Br J Clin Pharmacol. 1995 Apr;39(4):441-4.
3 Novel alleles of Plasmodium falciparum dhfr that confer resistance to chlorcycloguanil

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