Details of the Drug

General Information of Drug (ID: DMNAHVB)

• Drug Name: 6-(4-Chloro-benzenesulfonyl)-2H-pyridazin-3-one
• Synonyms: SCHEMBL6205548; CHEMBL425745; BDBM16599; MolPort-008-421-579; ZINC11536219; AKOS004915123; AKOS001782171; MCULE-3139216379; CCG-127350; 454181-53-4; Phenyl-Substituted Sulfonylpyridazinone, 8e; 6-[(4-chlorophenyl)sulfonyl]-3-pyridazinol; 6-[(4-chlorophenyl)sulfonyl]-3(2H)-pyridazinone; 3(2H)-Pyridazinone, 6-[(4-chlorophenyl)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); 270.69
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H7ClN2O3S
  IUPAC Name: 3-(4-chlorophenyl)sulfonyl-1H-pyridazin-6-one
  Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)C2=NNC(=O)C=C2)Cl
  InChI: InChI=1S/C10H7ClN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
  InChIKey: MLRLSUWJTAHEKD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9878572
  ChEBI ID: CHEMBL425745
  TTD ID: D02AAH
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.