General Information of Drug (ID: DMXELBI)

Drug Name
Sodium phenylarsonate
Synonyms sodium phenylarsonate
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 246
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C6H5AsNa2O3
IUPAC Name
disodium;dioxido-oxo-phenyl-lambda5-arsane
Canonical SMILES
C1=CC=C(C=C1)[As](=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C6H7AsO3.2Na/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H,(H2,8,9,10);;/q;2*+1/p-2
InChIKey
IDQWLYXYOJVSLB-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
44593649
TTD ID
D0GQ9A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [1]
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
Carbonic anhydrase IV (CA-IV) DTT CA4 1.58E-77 -2.02 -1.77
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors: the membrane-associated isoform XV is highly inhibited by inorganic anions. Bioorg Med Chem Lett. 2009 Feb 15;19(4):1155-8.