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
UNII
N5509X556J
DrugBank ID
DB18509
TTD ID
D0X8KC
VARIDT ID
DR00312
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
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.