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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.