Details of the Drug

General Information of Drug (ID: DMTL2Y1)

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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 74.921
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Chemical Identifiers
Formula
As
IUPAC Name
arsenic
Canonical SMILES
[As]
InChI
RQNWIZPPADIBDY-UHFFFAOYSA-N
InChIKey
1S/As
Cross-matching ID
PubChem CID
5359596
ChEBI ID
CHEBI:27563
CAS Number
7440-38-2
INTEDE ID
DR0139

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Serine sulfhydrase (CBS) DEYLWI6 CBS_HUMAN Substrate [1]
Methylarsonite methyltransferase N6AMT1 (N6AMT1) DEOT0QC N6MT1_HUMAN Substrate [2]
Arsenite methyltransferase (AS3MT) DE9KJP3 AS3MT_HUMAN Substrate [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1) OTG2T749 CP24A_HUMAN Gene/Protein Processing [4]
1,5-anhydro-D-fructose reductase (AKR1E2) OT7GBQEB AKCL2_HUMAN Post-Translational Modifications [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase alpha (AGPAT1) OTX65INE PLCA_HUMAN Post-Translational Modifications [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase gamma (AGPAT3) OTAUR5TG PLCC_HUMAN Post-Translational Modifications [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1 (PLCD1) OT6WFVXZ PLCD1_HUMAN Post-Translational Modifications [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 (PLCE1) OTJISZOX PLCE1_HUMAN Post-Translational Modifications [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1) OTSBQR6D PLCG1_HUMAN Post-Translational Modifications [5]
14-3-3 protein epsilon OT3WQXNA 1433E_HUMAN Gene/Protein Processing [6]
14-3-3 protein gamma OTYQTMPI 1433G_HUMAN Post-Translational Modifications [5]
14-3-3 protein sigma (SFN) OTLJCZ1U 1433S_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Association of genetic variation in cystathionine-beta-synthase and arsenic metabolism. Environ Res. 2010 Aug;110(6):580-7.
2 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.
3 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.
4 Arsenic alters transcriptional responses to Pseudomonas aeruginosa infection and decreases antimicrobial defense of human airway epithelial cells. Toxicol Appl Pharmacol. 2017 Sep 15;331:154-163.
5 Prenatal arsenic exposure and the epigenome: identifying sites of 5-methylcytosine alterations that predict functional changes in gene expression in newborn cord blood and subsequent birth outcomes. Toxicol Sci. 2015 Jan;143(1):97-106. doi: 10.1093/toxsci/kfu210. Epub 2014 Oct 10.
6 Nucleophosmin in the pathogenesis of arsenic-related bladder carcinogenesis revealed by quantitative proteomics. Toxicol Appl Pharmacol. 2010 Jan 15;242(2):126-35. doi: 10.1016/j.taap.2009.09.016. Epub 2009 Oct 7.
7 Genome-wide analysis of BEAS-2B cells exposed to trivalent arsenicals and dimethylthioarsinic acid. Toxicology. 2010 Jan 31;268(1-2):31-9.