Details of the Drug

General Information of Drug (ID: DMPS2B1)

Drug Name
Hydroxydimethylarsine Oxide
Synonyms
Cacodylic acid; cacodylic acid; Dimethylarsinic acid; 75-60-5; Hydroxydimethylarsine oxide; Chexmate; Silvisar; Phytar; Arsan; Erase; DIMETHYLARSENIC ACID; Silvisar 510; Arsinic acid, dimethyl-; Phytar 560; Ansar 138; Sylvicor; Moncide; Dilic; Rad-e-cate 35; Agent Blue; Acide cacodylique; Alkargen; Phytar 138; Acide dimethylarsinique; Cotton aide HC; Kyselina kakodylova; RCRA waste number U136; Phytar 600; Caswell No 133; Arsine oxide, hydroxydimethyl-; Ansar; UNII-AJ2HL7EU8K; Acide cacodylique [French]; Kyselina kakodylova [Czech]
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 138
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C2H7AsO2
IUPAC Name
dimethylarsinic acid
Canonical SMILES
C[As](=O)(C)O
InChI
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
InChIKey
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2513
ChEBI ID
CHEMBL48765
CAS Number
75-60-5
UNII
AJ2HL7EU8K
DrugBank ID
DB02994
TTD ID
D06YEV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aldose reductase (AKR1B1) TTFBNVI ALDR_HUMAN Inhibitor [1]
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
ATP-binding cassette sub-family C member 4 (ABCC4) OTO27PAL MRP4_HUMAN Regulation of Drug Effects [2]
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [3]
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Gene/Protein Processing [4]
Carbonic anhydrase 12 (CA12) OT6WNFU8 CAH12_HUMAN Gene/Protein Processing [4]
Caveolin-2 (CAV2) OT1FGRQX CAV2_HUMAN Gene/Protein Processing [4]
Cyclic AMP-dependent transcription factor ATF-4 (ATF4) OTRFV19J ATF4_HUMAN Gene/Protein Processing [5]
Cyclin-dependent kinase inhibitor 2A (CDKN2A) OTN0ZWAE CDN2A_HUMAN Post-Translational Modifications [6]
DNA damage-inducible transcript 3 protein (DDIT3) OTI8YKKE DDIT3_HUMAN Gene/Protein Processing [5]
Glutaminase liver isoform, mitochondrial (GLS2) OT08MSHL GLSL_HUMAN Gene/Protein Processing [4]
Growth arrest and DNA damage-inducible protein GADD45 alpha (GADD45A) OTDRV63V GA45A_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aldose reductase (AKR1B1) DTT AKR1B1 1.08E-20 0.94 1.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 A novel pathway for arsenic elimination: human multidrug resistance protein 4 (MRP4/ABCC4) mediates cellular export of dimethylarsinic acid (DMAV) and the diglutathione conjugate of monomethylarsonous acid (MMAIII). Mol Pharmacol. 2014 Aug;86(2):168-79. doi: 10.1124/mol.113.091314. Epub 2014 May 28.
3 MiADMSA ameliorate arsenic induced urinary bladder carcinogenesis in vivo and in vitro. Biomed Pharmacother. 2020 Aug;128:110257. doi: 10.1016/j.biopha.2020.110257. Epub 2020 May 28.
4 Identification of interspecies concordance of mechanisms of arsenic-induced bladder cancer. Toxicol In Vitro. 2007 Dec;21(8):1513-29. doi: 10.1016/j.tiv.2007.06.021. Epub 2007 Jul 21.
5 Association between arsenic suppression of adipogenesis and induction of CHOP10 via the endoplasmic reticulum stress response. Environ Health Perspect. 2013 Feb;121(2):237-43. doi: 10.1289/ehp.1205731. Epub 2012 Dec 5.
6 Environmental arsenic exposure and DNA methylation of the tumor suppressor gene p16 and the DNA repair gene MLH1: effect of arsenic metabolism and genotype. Metallomics. 2012 Nov;4(11):1167-75. doi: 10.1039/c2mt20120h. Epub 2012 Oct 16.
7 Toxicological properties of the thiolated inorganic arsenic and arsenosugar metabolite thio-dimethylarsinic acid in human bladder cells. J Trace Elem Med Biol. 2014 Apr;28(2):138-146. doi: 10.1016/j.jtemb.2013.06.004. Epub 2013 Jul 5.