Details of the Drug

General Information of Drug (ID: DMPA2E9)

• Drug Name: T-1106
• Synonyms: AC1NRS1H; T-1106; SCHEMBL6384698; CHEMBL261459; XVXWUBIIHFDOJO-KQYNXXCUSA-N; 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide; 4-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid amide; 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3-oxo-3,4-dihydro-2-pyrazinecarboxamide

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 271.23
  Logarithm of the Partition Coefficient (xlogp); -2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C10H13N3O6
  IUPAC Name: 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
  Canonical SMILES: C1=CN(C(=O)C(=N1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
  InChI: InChI=1S/C10H13N3O6/c11-8(17)5-9(18)13(2-1-12-5)10-7(16)6(15)4(3-14)19-10/h1-2,4,6-7,10,14-16H,3H2,(H2,11,17)/t4-,6-,7-,10-/m1/s1
  InChIKey: XVXWUBIIHFDOJO-KQYNXXCUSA-N
• Cross-matching ID:
  PubChem CID: 5271819
  TTD ID: D0ZU6O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Virus RNA-dependent RNA polymerase (Viru RdRP)	TTSUKYD	POLG_HCVJA	Inhibitor	[1]

References

• [1] Activity of T-705 in a hamster model of yellow fever virus infection in comparison with that of a chemically related compound, T-1106. Antimicrob Agents Chemother. 2009 Jan;53(1):202-9.