Details of the Drug

General Information of Drug (ID: DMK02LS)

• Drug Name: US9353089, 330
• Synonyms: CHEMBL2012001; SCHEMBL7539510; BDBM234557; BDBM50379880; US9353089, 330
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 335.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H21N3O2
  IUPAC Name: 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
  Canonical SMILES: CN1C(=O)C(N=C1N)(C2CC2)C3=CC=CC(=C3)C4=CC(=CC=C4)OC
  InChI: InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)
  InChIKey: NCNMSGOJBLVCOM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59262421
  TTD ID: D0H4IY

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.