Details of the Drug

General Information of Drug (ID: DMEARS2)

• Drug Name: US9200020, Table 3, Compound 1B
• Synonyms: BDBM60886; US9200020, Table 3, Compound 1B
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 373.3
  Logarithm of the Partition Coefficient (xlogp); -4.6
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C13H20N5O6P
  IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)-[2-(6-oxo-5H-purin-9-yl)ethyl]amino]ethylphosphonic acid
  Canonical SMILES: CCOC(=O)CN(CCN1C=NC2C1=NC=NC2=O)CCP(=O)(O)O
  InChI: InChI=1S/C13H20N5O6P/c1-2-24-10(19)7-17(5-6-25(21,22)23)3-4-18-9-16-11-12(18)14-8-15-13(11)20/h8-9,11H,2-7H2,1H3,(H2,21,22,23)
  InChIKey: ISSPDMWVBYSPCQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72672374
  TTD ID: D06TXN
• 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 Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)	TTBL49X	HGXR_PLAFG	Inhibitor	[1]

References

• [1] 6-oxopurine phosphoribosyltransferase inhibitors. US9200020.