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
  ChEBI ID: CHEMBL2012001
  TTD ID: D0H4IY
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.