Details of the Drug

General Information of Drug (ID: DMXZWOA)

• Drug Name: 6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one
• Synonyms: CHEMBL347379; 6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one; SCHEMBL10461779

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); 237.26
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H11N3O
  IUPAC Name: 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one
  Canonical SMILES: C1=CC2=C(C=CC(=O)N2)C=C1/C=C/N3C=CN=C3
  InChI: InChI=1S/C14H11N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1-10H,(H,16,18)/b7-5+
  InChIKey: ULTZJAJIZBBKSG-FNORWQNLSA-N
• Cross-matching ID:
  PubChem CID: 14373279
  TTD ID: D0TZ8C

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

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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] 3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase. J Med Chem. 1992 Feb 21;35(4):620-8.