Details of the Drug

General Information of Drug (ID: DM7WYCM)

• Drug Name: 6-aza-uridine monophosphate
• Synonyms: 6-Aza-ump; 6-Azauridine-5'-monophosphate; 6-aza uridine 5'-monophosphate; 1los; UP6; [(2R,3S,4R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; aza UMP; 6-Azauridine-5'-phosphate; 6-Azauridine 5'M; NSC47549; 6-Azauridine 5'MP; 6-azauridine 5'-phosphate; AC1L45DF; 6-aza-uridine monophosphate; C6-Uridine Derivative, 18; 6-Azauridine-5-monophosphate; CHEMBL463480; SCHEMBL3214622; BDBM21340; 6-Azauridine 5'-phosphoric acid; ZINC12503861; AKOS027381721; DB03718; W-201761

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 325.17
  Logarithm of the Partition Coefficient (xlogp); -3.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C8H12N3O9P
  IUPAC Name: [(2R,3S,4R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  Canonical SMILES: C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
  InChI: InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
  InChIKey: LRVZOSYMNMNQFR-SHUUEZRQSA-N
• Cross-matching ID:
  PubChem CID: 150959
  ChEBI ID: CHEBI:46319
  CAS Number: 2018-19-1
  DrugBank ID: DB03718
  TTD ID: D03GVL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Orotidine phosphate decarboxylase (MycB pyrF)	TTV7Y40	PYRF_MYCTO	Inhibitor	[1]

References

• [1] Design of inhibitors of orotidine monophosphate decarboxylase using bioisosteric replacement and determination of inhibition kinetics. J Med Chem. 2006 Aug 10;49(16):4937-45.