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

General Information of Drug (ID: DR2278)
Drug Name
HY-12638
Synonyms
Anthiphen; Dichlorophen; Antifen; Antiphen; Cordocel; Dicestal; Dichloorfeen; Dichlorofen; Dichlorophen B; Dichlorophene 10; Dichlorphen; Didroxan; Didroxane; Difentan; Diphenthane 70; Embephen; Fungicide GM; Fungicide M; Gingivit; Halenol; Hyosan; Korium; Palacel; Panacide; Parabis; Plath-Lyse; Prevental; Preventol GD; Preventol GDC; Sandocide; Super mosstox; Taeniatol; Teniathane; Teniatol; Teniotol; Trivex; Vermithana; Wespuril; dichlorophene; 2,2'-Methylenebis(4-chlorophenol); 97-23-4; Bis(5-chloro-2-hydroxyphenyl)methane; DDDM; Gefir
Indication Tapeworm infestation [ICD11: 1F7Y] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 269.12 Topological Polar Surface Area 40.5
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
3037
ChEBI ID
CHEBI:34689
CAS Number
97-23-4
Formula
C13H10Cl2O2
Canonical SMILES
C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
InChI
1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
MDNWOSOZYLHTCG-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
Dichlorophene diglucuronide DM005610 N. A. Unclear 1 [3]
Dichlorophene monoglucuronide DM005609 N. A. Unclear 1 [3]
Dichlorophene sulfate DM005608 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005981 HY-12638 Dichlorophene sulfate Unclear Unclear [3]
MR005982 HY-12638 Dichlorophene monoglucuronide Unclear Unclear [3]
MR005983 HY-12638 Dichlorophene diglucuronide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 BM3 (cypBM3) DME1236 Bacillus megaterium
M9TKI6_BACME
1.14.14.1
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (T1J0JOU64O)
2 PEGylation of cytochrome P450 enhances its biocatalytic performance for pesticide transformation. Int J Biol Macromol. 2017 Dec;105(Pt 1):163-170.
3 Safety assessment of dichlorophene and chlorophene

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