Details of the Drug

General Information of Drug (ID: DMV03NS)

• Drug Name: A-192558
• Synonyms: A-192558; UNII-SQ95TK2P11; CHEMBL19309; SQ95TK2P11; 4-Amino-1-(ethyl-isopropyl-carbamoyl)-5-[(2,2,2-trifluoro-acetylamino)-methyl]-pyrrolidine-3-carboxylic acid; BDBM50098745; 341969-96-8; 3-Pyrrolidinecarboxylic acid, 4-amino-1-((ethyl(1-methylethyl)amino)carbonyl)-5-(((2,2,2-trifluoroacetyl)amino)methyl)-, (3R,4R,5S)-; 1-[(Ethylisopropylamino)carbonyl]-2beta-[(trifluoroacetylamino)methyl]-3alpha-aminopyrrolidine-4alpha-carboxylic acid; 3-Pyrrolidinecarboxylic acid, 4-amino-1-((ethyl(1-methylethyl)amino)carbonyl)-5

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.35
  Logarithm of the Partition Coefficient (xlogp); -1.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C14H23F3N4O4
  IUPAC Name: (3R,4R,5S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]-5-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-3-carboxylic acid
  Canonical SMILES: CCN(C(C)C)C(=O)N1C[C@H]([C@H]([C@@H]1CNC(=O)C(F)(F)F)N)C(=O)O
  InChI: InChI=1S/C14H23F3N4O4/c1-4-20(7(2)3)13(25)21-6-8(11(22)23)10(18)9(21)5-19-12(24)14(15,16)17/h7-10H,4-6,18H2,1-3H3,(H,19,24)(H,22,23)/t8-,9+,10-/m1/s1
  InChIKey: KRSIVMHLZOHCGR-KXUCPTDWSA-N
• Cross-matching ID:
  PubChem CID: 9885589
  CAS Number: 341969-96-8
  TTD ID: D0P3BL

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] Antiviral agents active against influenza A viruses. Nat Rev Drug Discov. 2006 Dec;5(12):1015-25.