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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.4
Logarithm of the Partition Coefficient (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]
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.