Details of the Drug

General Information of Drug (ID: DM4IKBV)

Drug Name

Trifluoromethionine

Synonyms

Trifluoro-l-methionine; 764-52-3; 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID; (S)-2-Amino-4-((trifluoromethyl)thio)butanoic acid; YLJLTSVBCXYTQK-VKHMYHEASA-N; S-Trifluoromethyl-L-homocysteine; MF3; (2S)-2-amino-4-(trifluoromethylsulfanyl)butanoic acid; AC1Q4KJQ; AC1Q4U8O; SCHEMBL245986; (Trifluoromethyl)homocysteine #; AC1L4W93; CHEBI:43978; ZINC1698833; L-Homocysteine,S-(trifluoromethyl)-; AKOS027393884; DB03799; AK432011

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

203.19

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C5H8F3NO2S
IUPAC Name: (2S)-2-amino-4-(trifluoromethylsulfanyl)butanoic acid
Canonical SMILES: C(CSC(F)(F)F)[C@@H](C(=O)O)N
InChI: InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKey: YLJLTSVBCXYTQK-VKHMYHEASA-N

Cross-matching ID

PubChem CID: 165196
ChEBI ID: CHEBI:43978
CAS Number: 764-52-3
DrugBank ID: DB03799
TTD ID: D0ZU4S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pseudomonas Methionine gamma-lyase (Pseudo mdeA)	TT1UY5C	MEGL_PSEPU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Kinetic characterization of methionine gamma-lyases from the enteric protozoan parasite Entamoeba histolytica against physiological substrates and trifluoromethionine, a promising lead compound against amoebiasis. FEBS J. 2008 Feb;275(3):548-60.