Details of the Drug

General Information of Drug (ID: DMV7JC6)

Drug Name

GS-3435

Indication

Disease Entry	ICD 11	Status	REF
Influenza virus infection	1E30-1E32	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

298.77

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H19ClN4O2
IUPAC Name: tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2Cl
InChI: InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3
InChIKey: IJINSJSWDSHUBL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005196)
2	US patent application no. 2010,0081,713, Compositions and methods for treating viral infections.