Details of the Drug

General Information of Drug (ID: DMZJO5V)

• Drug Name: Phenoxyarsonous acid
• Synonyms: phenoxyarsonous acid; CHEMBL186553; SCHEMBL11222792

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 202.04
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C6H7AsO3
  IUPAC Name: phenoxyarsonous acid
  Canonical SMILES: C1=CC=C(C=C1)O[As](O)O
  InChI: InChI=1S/C6H7AsO3/c8-7(9)10-6-4-2-1-3-5-6/h1-5,8-9H
  InChIKey: NOJGJOHOYAWLBB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44395086
  TTD ID: D01GNQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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 I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.