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

General Information of Drug (ID: DR2045)
Drug Name
Dichloroindophenol
Synonyms
Dichlorophenolindophenol; Indochlorophenol; Tillmans Reagent; 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((4-hydroxyphenyl)imino)-; 2,6-Dichlorophenolindophenol; 2,5-cyclohexadien-1-one, 2,6-dichloro-4-[(4-hydroxyphenyl)imino]-; 2,6-DICHLOROINDOPHENOL; 2,6-Dichloro-N-4-hydroxyphenyl-p-benzoquinone monoimine; 4-[(3,5-dichloro-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one; 956-48-9; C35QN2Z58B; CHEBI:27451; CHEBI:945; DCPIP; DPIP; N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine; UNII-C35QN2Z58B
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 268.09 Topological Polar Surface Area 49.7
Heavy Atom Count 17 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
13726
ChEBI ID
CHEBI:945
CAS Number
956-48-9
Formula
C12H7Cl2NO2
Canonical SMILES
C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)O)Cl
InChI
1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,17H
InChIKey
FBWADIKARMIWNM-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
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006289 Dichloroindophenol Unclear Unclear XDH [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Methionine synthase reductase (MTRR) DME0431 Homo sapiens
MTRR_HUMAN
1.16.1.8
[2]
Xanthine dehydrogenase/oxidase (XDH) DME0070 Homo sapiens
XDH_HUMAN
1.17.1.4
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Methionine synthase reductase (MTRR) DME0431 Km = 0.0023 microM
MTRR_HUMAN
[2]
References
1 A spectrophotometric coupled enzyme assay to measure the activity of succinate dehydrogenase. Anal Biochem. 2013 Nov 1;442(1):19-23.
2 Differences in the efficiency of reductive activation of methionine synthase and exogenous electron acceptors between the common polymorphic variants of human methionine synthase reductase. Biochemistry. 2002 Nov 12;41(45):13378-85.
3 Selenium-dependent metabolism of purines: A selenium-dependent purine hydroxylase and xanthine dehydrogenase were purified from Clostridium purinolyticum and characterized

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