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

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.