Details of the Drug

General Information of Drug (ID: DM5LBCH)

• Drug Name: 6-(4-Methoxy-benzenesulfonyl)-2H-pyridazin-3-one
• Synonyms: CHEMBL74785; SCHEMBL6207869; BDBM16446; ZINC11536216; AKOS001782172; AKOS015830989; MCULE-9943571795; CCG-127351; 6-phenylsulfonylpyridazin-2H-3-one, 8; 454181-51-2; Phenyl-Substituted Sulfonylpyridazinone, 8h; 6-[(4-methoxyphenyl)sulfonyl]pyridazin-3(2H)-one; 3(2H)-Pyridazinone, 6-[(4-methoxyphenyl)sulfonyl]-

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); 266.28
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C11H10N2O4S
  IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
  Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)C2=NNC(=O)C=C2
  InChI: InChI=1S/C11H10N2O4S/c1-17-8-2-4-9(5-3-8)18(15,16)11-7-6-10(14)12-13-11/h2-7H,1H3,(H,12,14)
  InChIKey: KLWAIVHFGCYFDO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9921499
  TTD ID: D0P3AU

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] A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3... J Med Chem. 2005 Oct 6;48(20):6326-39.