Details of the Drug

General Information of Drug (ID: DMADPQX)

• Drug Name: CI-930
• Synonyms: CI-930; CI 930; 86798-59-6; 4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone; 3(2H)-Pyridazinone, 4,5-dihydro-6-(4-(1H-imidazol-1-yl)phenyl)-5-methyl-; AC1MIBTH; CHEMBL440593; SCHEMBL6052113; CTK5F7194; BDBM14362; AEZZPAQOEUQNBB-UHFFFAOYSA-N; 90791-23-4 (hydrochloride); BDBM50225945; LS-187480; LS-186812; 6-[4-(1-Imidazolyl)phenyl]-5-methyl-3-oxo-2,3,4,5-tetrahydropyridazine; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 254.29
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H14N4O
  IUPAC Name: 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
  Canonical SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3
  InChI: InChI=1S/C14H14N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-7,9-10H,8H2,1H3,(H,16,19)
  InChIKey: AEZZPAQOEUQNBB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3021729
  CAS Number: 86798-59-6
  TTD ID: D0BK6B

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	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 3A (PDE3A)	DTT	PDE3A	1.18E-01	0.12	0.48
Phosphodiesterase 3A (PDE3A)	DTT	PDE3A	6.10E-01	-0.05	-0.16

References

• [1] Cardiotonic agents. 9. Synthesis and biological evaluation of a series of (E)-4,5-dihydro-6-[2-[4-(1H-imidazol-1-yl)phenyl]ethenyl]-3 (2H)-pyridazi... J Med Chem. 1989 Feb;32(2):342-50.