Details of the Drug

General Information of Drug (ID: DMTY92S)

Drug Name
3-Fluoro-2-(Phosphonooxy)Propanoic Acid
Synonyms 3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID; AC1NRB38; DB03113; (2R)-3-fluoro-2-phosphonooxypropanoic acid; (2R)-3-fluoro-2-(phosphonooxy)propanoic 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) 188.05
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C3H6FO6P
IUPAC Name
(2R)-3-fluoro-2-phosphonooxypropanoic acid
Canonical SMILES
C([C@@H](C(=O)O)OP(=O)(O)O)F
InChI
InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
BNOCDEBUFVJMQI-REOHCLBHSA-N
Cross-matching ID
PubChem CID
5288237
DrugBank ID
DB03113
TTD ID
D0C1PC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA) TTVNA43 KDSA_ECOLI 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.