Details of the Drug

General Information of Drug (ID: DMBCO4Q)

Drug Name
Arsenite
Synonyms Arsenenous acid; 13768-07-5; Arsenite (ion); AC1L2NJ5
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 107.928
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
AsHO2
IUPAC Name
arsenous acid
Canonical SMILES
O[As]=O
InChI
InChI=1S/AsHO2/c2-1-3/h(H,2,3)
InChIKey
XHTRYVMKFMUJLU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24577
CAS Number
13768-07-5
TTD ID
D0X8KC
VARIDT ID
DR00312

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inhibitor of nuclear factor kappa-B kinase (IKK) TTRPDBG NOUNIPROTAC Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Feline leukemia virus subgroup C receptor-related protein 1 (SLC49A1) DTH6X7Q FLVC1_HUMAN Substrate [2]
Glucose transporter type 1, erythrocyte/brain (SLC2A1) DTG3T6X GTR1_HUMAN Substrate [3]
Multidrug resistance-associated protein 1 (ABCC1) DTSYQGK MRP1_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of NF-kappa B activation by arsenite through reaction with a critical cysteine in the activation loop of Ikappa B kinase. J Biol Chem. 2000 Nov 17;275(46):36062-6.
2 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.1.28.1)
3 Mammalian glucose permease GLUT1 facilitates transport of arsenic trioxide and methylarsonous acid. Biochem Biophys Res Commun. 2006 Dec 15;351(2):424-30.
4 Comparative Molecular Docking Studies with ABCC1 and Aquaporin 9 in the Arsenite Complex Efflux. Bioinformation. 2014 Aug 30;10(8):474-9.