Details of the Drug

General Information of Drug (ID: DMUL6GY)

• Drug Name: BEMORADAN
• Synonyms: Orf-22867; RWJ-22867; Bemoradan; Rac-7-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one; Rac-5-Methyl-6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2,3,4,5-tetrahydropyridazin-3-one

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 259.26
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H13N3O3
  IUPAC Name: 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
  Canonical SMILES: CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=O)CO3
  InChI: InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
  InChIKey: XZPGINPFWXLYNW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5362399
  ChEBI ID: CHEMBL46765
  CAS Number: 112018-01-6
  TTD ID: D08HKT
• 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
Phosphodiesterase 3A (PDE3A)	TT06AWU	PDE3A_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Heart failure
• ICD Disease Classification: BD10-BD13

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 3A (PDE3A)	DTT	PDE3A	3.33E-01	1.35E-02	0.14

References

• [1] Evaluation of the excretion, and metabolism of the cardiotonic agent bemoradan in male rats and female beagle dogs. Eur J Drug Metab Pharmacokinet. 2001 Oct-Dec;26(4):263-71.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015