Details of the Drug

General Information of Drug (ID: DM3VJLZ)

• Drug Name: 2-(benzylideneamino)ethanesulfonamide
• Synonyms: 2-(benzylideneamino)ethanesulfonamide; CHEMBL574337

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); 212.27
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H12N2O2S
  IUPAC Name: 2-(benzylideneamino)ethanesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)C=NCCS(=O)(=O)N
  InChI: InChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13)
  InChIKey: TZIDZFKPPIWVBP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 45483186
  TTD ID: D0U0QW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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 II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] Carbonic anhydrase II-induced selection of inhibitors from a dynamic combinatorial library of Schiff's bases. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6014-7.