Details of the Drug

General Information of Drug (ID: DMWG98Z)

• Drug Name: US9353089, 135
• Synonyms: CHEMBL2011974; SCHEMBL4232691; BDBM234502; BDBM50379890; US9353089, 135
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 342.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H18N4O
  IUPAC Name: 2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
  Canonical SMILES: CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CN=CC=C4
  InChI: InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)
  InChIKey: PNSQCPQDRVOKMA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11359820
  TTD ID: D03OLC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Plasmepsin 2 (Malaria PLA2)	TTXMNHO	PLM2_PLAFA	Inhibitor	[1]

References

• [1] Compositions and methods for the treatment of malaria. US9353089.