Details of the Drug

General Information of Drug (ID: DM9K8DY)

• Drug Name: 6-(4-Bromo-benzenesulfonyl)-2H-pyridazin-3-one
• Synonyms: CHEMBL413566; BDBM16597; MolPort-035-757-148; HMS3437C04; ZINC11536222; AKOS024439117; AKOS001782802; MCULE-5808217949; Phenyl-Substituted Sulfonylpyridazinone, 8b; 6-[(4-bromophenyl)sulfonyl]-3(2H)-pyridazinone

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); 315.15
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H7BrN2O3S
  IUPAC Name: 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one
  Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)C2=NNC(=O)C=C2)Br
  InChI: InChI=1S/C10H7BrN2O3S/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: MKFSHYSDCZFZEZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11674065
  TTD ID: D0Y7PW

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.