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

General Information of Drug (ID: DR0139)
Drug Name
Arsenic
Synonyms
Agent SA; Arsen [German,Polish]; Arsenic; Arsenic Black; Arsenic Lump (Metals Basis); Arsenic and arsenic compounds; Arsenic compounds; Arsenic hydride (AsH3); Arsenic, elemental; Arsenic, inorganic; Arsenic, organic compounds; Arsenic-75; Arsenicals; Arsenowodor [Polish]; Arsenwasserstoff [German]; Colloidal arsenic; Gray arsenic; Grey arsenic; Metallic arsenic; UN 2188; UN1558; UN2188; V1I29R0RJQ; 7440-38-2; Arsen; As; CCRIS 55; EINECS 231-148-6; EINECS 232-066-3; HSDB 509; HSDB 510; N712M78A8G; UNII-N712M78A8G; UNII-V1I29R0RJQ
Indication Acute myeloid leukaemia [ICD11: 2A60] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 74.921 Topological Polar Surface Area 0
Heavy Atom Count 1 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
Cross-matching ID
PubChem CID
5359596
ChEBI ID
CHEBI:27563
CAS Number
7440-38-2
Formula
As
Canonical SMILES
[As]
InChI
1S/As
InChIKey
RQNWIZPPADIBDY-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
Dimethylarsinic acid (DMAV) DM001752
2513
Conjugation - Methylation 1 [2] , [5] , [6]
Monomethylarsonic acid(MMAV) DM001751
8948
Unclear 1 [4] , [5]
Monomethylarsonic acid(MMAV) DM001751
8948
Conjugation - Methylation 1 [2] , [5] , [6]
Dimethylarsinic acid (DMAV) DM001752
2513
Conjugation - Methylation 2 [3] , [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000296 Arsenic Monomethylarsonic acid Conjugation - Methylation AS3MT [2], [5], [6]
MR000297 Arsenic Dimethylarsinic acid Conjugation - Methylation AS3MT [2], [5], [6]
MR000295 Monomethylarsonic acid Dimethylarsinic acid Conjugation - Methylation N6AMT1 [3], [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arsenite methyltransferase (AS3MT) DME0408 Homo sapiens
AS3MT_HUMAN
2.1.1.137
[2]
Methylarsonite methyltransferase N6AMT1 (N6AMT1) DME0426 Homo sapiens
N6MT1_HUMAN
2.1.1.72
[3]
Serine sulfhydrase (CBS) DME0410 Homo sapiens
CBS_HUMAN
4.2.1.22
[4]
References
1 Arsenic was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Polymorphisms in arsenic(+III oxidation state) methyltransferase (AS3MT) predict gene expression of AS3MT as well as arsenic metabolism. Environ Health Perspect. 2011 Feb;119(2):182-8.
3 Interactive influence of N6AMT1 and As3MT genetic variations on arsenic metabolism in the population of Inner Mongolia, China. Toxicol Sci. 2017 Jan;155(1):124-134.
4 Association of genetic variation in cystathionine-beta-synthase and arsenic metabolism. Environ Res. 2010 Aug;110(6):580-7.
5 Prenatal arsenic exposure, arsenic metabolism and neurocognitive development of 2-year-old children in low-arsenic areas. Environ Int. 2023 Apr;174:107918. doi: 10.1016/j.envint.2023.107918.
6 Arsenic metabolism, N6AMT1 and AS3MT single nucleotide polymorphisms, and their interaction on gestational diabetes mellitus in Chinese pregnant women. Environ Res. 2023 Mar 15;221:115331. doi: 10.1016/j.envres.2023.115331.

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