Details of the Drug

General Information of Drug (ID: DMECBLA)

• Drug Name: 3-fluorovinylglycine
• Synonyms: Fluorovinylglycine; 3-Fluorovinylglycine; FVGly; ACMC-20melc; 3-Butenoic acid, 2-amino-3-fluoro-, (S)-; AC1MIW53; 2-amino-3-fluorobut-3-enoic acid; 2-Amino-3-fluoro-3-butenoic acid; 111687-18-4; AKOS006361808; 3-Butenoic acid, 2-amino-3-fluoro-, (+-)-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 119.09
  Logarithm of the Partition Coefficient (xlogp); -2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C4H6FNO2
  IUPAC Name: 2-amino-3-fluorobut-3-enoic acid
  Canonical SMILES: C=C(C(C(=O)O)N)F
  InChI: InChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
  InChIKey: HMOXWHQSNHKKFM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3081008
  CAS Number: 111581-52-3
  TTD ID: D0T7UP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Biosynthetic alanine racemase (MycB alr)	TT6TMZU	ALR_MYCSM	Inhibitor	[1]

References

• [1] Mechanism-based inactivation of alanine racemase by 3-halovinylglycines. J Biol Chem. 1991 Nov 15;266(32):21657-65.