Details of the Drug

General Information of Drug (ID: DMOUTNA)

Drug Name
Methionine Phosphonate
Synonyms
METHIONINE PHOSPHONATE; (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID; 1pfu; AC1L9GS3; SCHEMBL4321583; DB02151; [(R)-1-Amino-3-(methylthio)propyl]phosphonic acid; [(1R)-1-amino-3-methylsulfanylpropyl]phosphonic acid; [(1R)-1-amino-3-(methylsulfanyl)propyl]phosphonic 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): 1 Molecular Weight (mw) 185.18
Logarithm of the Partition Coefficient (xlogp) -3.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H12NO3PS
IUPAC Name
[(1R)-1-amino-3-methylsulfanylpropyl]phosphonic acid
Canonical SMILES
CSCC[C@H](N)P(=O)(O)O
InChI
InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
InChIKey
XKCSXHUCPYVQIW-SCSAIBSYSA-N
Cross-matching ID
PubChem CID
444719
DrugBank ID
DB02151
TTD ID
D0Z2KB

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.