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

General Information of Drug (ID: DR0797)
Drug Name
Guanoxan
Synonyms
Guanoxan; Guanoxan [INN:BAN]; Guanoxane; Guanoxano; Guanoxano [INN-Spanish]; Guanoxanum; Guanoxanum [INN-Latin]; Guanoxon; ((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)guanidine; (1,4-Benzodioxan-2-ylmethyl)guanidine; 2165-19-7; Envacar (Salt/Mix); BRN 1251616; DSSTox_CID_26166; DSSTox_RID_81397; GUANIDINE, (1,4-BENZODIOXAN-2-YLMETHYL)-; Guanidine, ((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-; N-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)guanidine; N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]guanidine; NCGC00160462-01
Indication Essential hypertension [ICD11: BA00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 207.23 Topological Polar Surface Area 82.9
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
16564
ChEBI ID
CHEBI:134871
CAS Number
2165-19-7
Formula
C10H13N3O2
Canonical SMILES
C1C(OC2=CC=CC=C2O1)CN=C(N)N
InChI
1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
InChIKey
HIUVKVDQFXDZHU-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. Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007241 Guanoxan Unclear Oxidation - Hydrolyzationn CYP2D6 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Regulation and drug development. Edited by Wardell, William M.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

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