Details of the Drug

General Information of Drug (ID: DM45K8W)

Drug Name

FANA

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1], [2], [3]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

345.23

Topological Polar Surface Area (xlogp)

-1.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C11H14F3NO8
IUPAC Name: (3R,4S)-4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]-2-[(1R,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Canonical SMILES: C1=C(OC([C@@H]([C@H]1O)NC(=O)C(F)(F)F)[C@@H]([C@H](CO)O)O)C(=O)O
InChI: InChI=1S/C11H14F3NO8/c12-11(13,14)10(22)15-6-3(17)1-5(9(20)21)23-8(6)7(19)4(18)2-16/h1,3-4,6-8,16-19H,2H2,(H,15,22)(H,20,21)/t3-,4-,6+,7+,8?/m0/s1
InChIKey: GEGPMWUYMRCINJ-DELVFIHMSA-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	Inhibitor	[1], [2], [3]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antiviral agents active against influenza A viruses. Nat Rev Drug Discov. 2006 Dec;5(12):1015-25.
2	Comparison of the anti-influenza virus activity of cyclopentane derivatives with oseltamivir and zanamivir in vivo. Bioorg Med Chem. 2005 Jun 2;13(12):4071-7.
3	Syntheses and neuraminidase inhibitory activity of multisubstituted cyclopentane amide derivatives. J Med Chem. 2004 Apr 8;47(8):1919-29.
4	Current and future antiviral therapy of severe seasonal and avian influenza. Antiviral Res. 2008 Apr;78(1):91-102.
5	Developing new antiviral agents for influenza treatment: what does the future hold Clin Infect Dis. 2009 Jan 1;48 Suppl 1:S3-13.
6	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
7	Inhibition of neuraminidase inhibitor-resistant influenza virus by DAS181, a novel sialidase fusion protein. PLoS One. 2009 Nov 6;4(11):e7838.
8	US patent application no. 2010,0081,713, Compositions and methods for treating viral infections.
9	CN patent application no. 104447481, Benzoic acid thiourea anti-influenza virus compounds as well as preparation method and use thereof.