Details of the Drug

General Information of Drug (ID: DMINUHD)

• Drug Name: 4-Amino-2-Deoxy-2,3-Dehydro-N-Neuraminic Acid
• Synonyms: 130525-62-1; 4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid; 4-AM-DANA; CHEMBL52270; 4-Amino-neu5Ac2en; 5-(Acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic Acid; 4AM; Zanamivir Amine; (4S,5R,6R)-5-Acetylamino-4-amino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid; (2R,3R,4S)-3-acetamido-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 290.27
  Logarithm of the Partition Coefficient (xlogp); -5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C11H18N2O7
  IUPAC Name: (2R,3R,4S)-3-acetamido-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
  Canonical SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N
  InChI: InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
  InChIKey: NKENBBIXEGPQLS-UFGQHTETSA-N
• Cross-matching ID:
  PubChem CID: 445533
  CAS Number: 130525-62-1
  UNII: OE4L5BBV9M
  DrugBank ID: DB03321
  TTD ID: D0C4GE

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]

References

• [1] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.