Details of the Drug

General Information of Drug (ID: DM5W9GR)

• Drug Name: WR-289009
• Synonyms: WR-289009; CHEMBL446640; 1-(4-methoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one; 1-(4-methoxyphenyl)-3-(4-pyridyl)prop-2-en-1-one; AC1NWTYG; MolPort-039-015-455; ZX-AT028226; ZINC4280782; BDBM50278069; AKOS005199414; KB-147400; 1-(4-Methoxyphenyl)-3-(4-pyridyl)-2-propene-1-one; (E)-1-(4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one; (E)-1-(4-methoxyphenyl)-3-(4-pyridyl)prop-2-en-1-one; 2-Propen-1-one, 1-(4-methoxyphenyl)-3-(4-pyridinyl)-, (2E)-

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); 239.27
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H13NO2
  IUPAC Name: (E)-1-(4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
  Canonical SMILES: COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=NC=C2
  InChI: InChI=1S/C15H13NO2/c1-18-14-5-3-13(4-6-14)15(17)7-2-12-8-10-16-11-9-12/h2-11H,1H3/b7-2+
  InChIKey: OHXOJKQHTRABPQ-FARCUNLSSA-N
• Cross-matching ID:
  PubChem CID: 5712235
  CAS Number: 72512-24-4
  TTD ID: D0A6YW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

References

• [1] Selective inhibition of Pfmrk, a Plasmodium falciparum CDK, by antimalarial 1,3-diaryl-2-propenones. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1982-5.