Details of the Drug

General Information of Drug (ID: DMFRA1Y)

Drug Name

Phenylarsonic acid

Synonyms

BENZENEARSONIC ACID; 1998/5/5; Monophenylarsonic acid; Arsonic acid, phenyl-; UNII-57F9KU116M; Kyselina benzenarsonova [Czech]; HSDB 6381; EINECS 202-631-9; NSC 15566; Arsonic acid, As-phenyl-; BRN 2935741; AI3-16050; CHEMBL364571; CHEBI:29851; 57F9KU116M; Kyselina benzenarsonova; C6H7AsO3; benzenarsonic acid; Benzenearsonie acid; ACMC-20ajwq; PhAsO3H2; PhAsO(OH)2; AC1Q1HDM; AC1L1OLG; KSC489M9F; 4-16-00-01183 (Beilstein Handbook Reference); SCHEMBL707127; WLN: Q-AS-QO & DTXSID6059158; CTK3I9692; BDBM26997

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

202.04

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C6H7AsO3
IUPAC Name: phenylarsonic acid
Canonical SMILES: C1=CC=C(C=C1)[As](=O)(O)O
InChI: InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
InChIKey: LVKZSFMYNWRPJX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7365
ChEBI ID: CHEBI:29851
CAS Number: 98-05-5
TTD ID: D0M6RM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[2]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glutaminase kidney isoform, mitochondrial (GLS)	OTGOZG2M	GLSK_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5769-73.
2	Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3139-43.
3	Structure-effect relationship in the down-regulation of glutaminase in cultured human cells by phenylarsenic compounds. Toxicology. 2009 Apr 28;258(2-3):157-63.