Details of the Drug

General Information of Drug (ID: DMAYLNO)

Drug Name
PHOSPHOGLYCOLOHYDROXAMATE
Synonyms
Phosphoglycolohydroxamic Acid; phosphoglycolohydroxamate; 2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate; Acetamide, N-hydroxy-2-(phosphonooxy)-; CHEMBL371668; 51528-59-7; CHEBI:28475; 1tpw; PGH; 1trd; 1ik4; AC1L1IZ8; SCHEMBL4309631; AC1Q6S77; DTXSID90199497; O-PHOSPHOGLYCOLOHYDROXAMATE; BDBM50167777; DB02739; DB03026; Phosphoric acid monohydroxycarbamoylmethyl ester; [2-(hydroxyamino)-2-oxoethyl] dihydrogen phosphate
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) 171.05
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C2H6NO6P
IUPAC Name
[2-(hydroxyamino)-2-oxoethyl] dihydrogen phosphate
Canonical SMILES
C(C(=O)NO)OP(=O)(O)O
InChI
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKey
BAXHHWZKQZIJID-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4797
ChEBI ID
CHEBI:28475
CAS Number
51528-59-7
DrugBank ID
DB03026
TTD ID
D0RO6K

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Fructose-bisphosphate aldolase (Malaria FBA) TT1FL6V ALF_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 N-Sulfonyl hydroxamate derivatives as inhibitors of class II fructose-1,6-diphosphate aldolase. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5375-7.