Details of the Drug

General Information of Drug (ID: DMMU2BZ)

• Drug Name: 2-(4-aminophenylsulfonamido)acetic acid
• Synonyms: 5616-30-8; (4-Amino-benzenesulfonylamino)-acetic acid; 2-(4-aminophenylsulfonamido)acetic acid; 2-[(4-aminophenyl)sulfonylamino]acetic acid; CHEMBL285053; (4-aminophenylsulfonylamino)acetic acid; Glycine, N-[(4-aminophenyl)sulfonyl]-; 2-(4-aminobenzenesulfonylamino)ethanoic acid; Sulfanilamidoacetic acid; 2-(4-aminophenylsulfonamido)aceticacid; AC1L92ZE; SCHEMBL1228868; N-4-aminobenzenesulfonyl glycine; CTK1F5176; DTXSID30328582; ((4-aminophenyl)sulfonyl)glycine; BPJUMYMTQYMSFZ-UHFFFAOYSA-N; ZINC1670307

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 230.24
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C8H10N2O4S
  IUPAC Name: 2-[(4-aminophenyl)sulfonylamino]acetic acid
  Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NCC(=O)O
  InChI: InChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
  InChIKey: BPJUMYMTQYMSFZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 412201
  CAS Number: 5616-30-8
  TTD ID: D01UNC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_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
Aldose reductase (AKR1B1)	DTT	AKR1B1	1.08E-20	0.94	1.58

References

• [1] Design and synthesis of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamides as aldose reductase inhibitors. Bioorg Med Chem. 2008 Apr 1;16(7):3926-32.