Details of the Drug

General Information of Drug (ID: DMSQLZF)

Drug Name

A-315675

Synonyms

UNII-H8E590FKGW; A-315675; H8E590FKGW; CHEMBL473062; A 315675; 335679-69-1; 5-((2S,1R)-1-(Acetylamino)-2-methoxy-2-methylpentyl)(4S,2R)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid; D-Proline, 5-((1R,2S)-1-(acetylamino)-2-methoxy-2-methylpentyl)-4-(1Z)-1-propenyl-, (4S,5R)-; D-Proline, 5-[(1R,2S)-1-(acetylamino)-2-methoxy-2-methylpentyl]-4-(1Z)-1-propenyl-, (4S,5R)-; 5-[(2S,1R)-1-(Acetylamino)-2-methoxy-2-methylpentyl](4S,2R)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid; AC1O52P7; SCHEMBL6696713; BDBM50371257

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): 0

Molecular Weight (mw)

326.4

Topological Polar Surface Area (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H30N2O4
IUPAC Name: (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
Canonical SMILES: CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)/C=C\\C)NC(=O)C)OC
InChI: InChI=1S/C17H30N2O4/c1-6-8-12-10-13(16(21)22)19-14(12)15(18-11(3)20)17(4,23-5)9-7-2/h6,8,12-15,19H,7,9-10H2,1-5H3,(H,18,20)(H,21,22)/b8-6-/t12-,13-,14-,15-,17+/m1/s1
InChIKey: UUVKABIGWGMYCE-FLMGFEAJSA-N

Cross-matching ID

PubChem CID: 6451053
CAS Number: 335679-69-1
TTD ID: D06LUX

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)

MIA Detail

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.