Details of the Drug

General Information of Drug (ID: DM4V2ZO)

Drug Name
2-(Phosphonooxy)Butanoic Acid
Synonyms 2-(PHOSPHONOOXY)BUTANOIC ACID; AC1NRCQI; 2-phosphonooxybutanoic acid; SCHEMBL4318695; (2R)-2-(phosphonooxy)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) 184.08
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C4H9O6P
IUPAC Name
(2R)-2-phosphonooxybutanoic acid
Canonical SMILES
CC[C@H](C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKey
OETAGSCBSKODFW-GSVOUGTGSA-N
Cross-matching ID
PubChem CID
17754119
DrugBank ID
DB03248
TTD ID
D0RK2I

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 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.