Details of the Drug

General Information of Drug (ID: DMCLHX5)

• Drug Name: US9200020, Table 3 compound 8
• Synonyms: BDBM194499; US9200020, Table 3 compound 8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 374.29
  Logarithm of the Partition Coefficient (xlogp); -6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C12H19N6O6P
  IUPAC Name: 3-[2-(2-amino-6-oxo-5H-purin-9-yl)ethyl-(2-phosphonoethyl)amino]propanoic acid
  Canonical SMILES: C1=NC2C(=NC(=NC2=O)N)N1CCN(CCC(=O)O)CCP(=O)(O)O
  InChI: InChI=1S/C12H19N6O6P/c13-12-15-10-9(11(21)16-12)14-7-18(10)4-3-17(2-1-8(19)20)5-6-25(22,23)24/h7,9H,1-6H2,(H,19,20)(H2,13,16,21)(H2,22,23,24)
  InChIKey: LUBVDKAUBOMGNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72671667
  TTD ID: D0J6BK

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.