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

General Information of Drug (ID: DR0794)
Drug Name
Guanabenz
Synonyms
Guanabenz [USAN:INN]; Guanabenz monoacetate; Guanabenzo [INN-Spanish]; Guanabenzum; Guanabenzum [INN-Latin]; Wy 8678; Wy 8678 base; Wy-8678; Wytensin; guanabenz; ((2,6-Dichlorobenzylidene)amino)guanidine; 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine; CHEBI:5553; EINECS 225-750-8; GBZ; Hydrazinecarboximidamide, 2-((2,6-dichlorophenyl)methylene)-; MLS000736759; N-((2,6-Dichlorobenzylidene)amino)guanidine; N-(2,6-Dichlorobenzylidene)-N'-amidinohydrazine; NSC-68982; UNII-GGD30112WC
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 231.08 Topological Polar Surface Area 76.8
Heavy Atom Count 14 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5702063
PubChem SID
9246 ; 113005 ; 15390940 ; 17434456 ; 24607029 ; 26665151 ; 26751943 ; 47206274 ; 47795034 ; 48018892 ; 48169358 ; 48243349 ; 48318400 ; 49698340 ; 50064822 ; 50070697 ; 50104618 ; 50104619 ; 57364886 ; 78424678 ; 81642163 ; 85209545 ; 85787575 ; 88878415 ; 90341577 ; 92098556 ; 92308809 ; 103164806 ; 103826246 ; 103936653 ; 114069183 ; 117464955 ; 124749846 ; 124886953 ; 126876159 ; 131342553 ; 131342557 ; 134337546 ; 134984370 ; 137010571 ; 137144691 ; 137149965 ; 139524299 ; 145257345 ; 160963974 ; 164037969 ; 164819317 ; 175266630 ; 176483965 ; 179038222
ChEBI ID
CHEBI:5553
CAS Number
5051-62-7
TTD Drug ID
D0L4HY
Formula
C8H8Cl2N4
Canonical SMILES
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl
InChI
1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKey
WDZVGELJXXEGPV-YIXHJXPBSA-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
Guanoxabenz DM004710
9567831
Oxidation - N-oxidation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005061 Guanabenz Guanoxabenz Oxidation - N-oxidation CYP1A2 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Guanabenz was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218.
3 DrugBank(Pharmacology-Metabolism):Guanabenz

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