Details of the Drug

General Information of Drug (ID: DM8TG41)

Drug Name
Difluoromethionine
Synonyms DIFLUOROMETHIONINE; S-(Difluoromethyl)homocysteine; 2FM; difluoro-L-methionine; AC1L9LA0; S-difluoromethyl-l-homocysteine; SCHEMBL2977180; DB03816; (2S)-2-amino-4-(difluoromethylsulfanyl)butanoic acid
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) 185.19
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C5H9F2NO2S
IUPAC Name
(2S)-2-amino-4-(difluoromethylsulfanyl)butanoic acid
Canonical SMILES
C(CSC(F)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1
InChIKey
YHBNXKYHZMAFED-VKHMYHEASA-N
Cross-matching ID
PubChem CID
447827
DrugBank ID
DB03816
TTD ID
D07YXL
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Streptococcus Methionyl-tRNA synthetase (Stre-coc metG) TTOJ46K SYM_STRP1 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.