Details of the Drug

General Information of Drug (ID: DMLT7FQ)

Drug Name
Erythose-4-Phosphate
Synonyms
D-Erythrose 4-phosphate; erythrose 4-phosphate; threose 4-phosphate; ERYTHOSE-4-PHOSPHATE; D-erythrose-4-phosphate; 585-18-2; erythrose-4-phosphate; erythrose-4P; erythrose-4-P; D-erythrose-4-P; UNII-2156QF7O8M; CHEBI:48153; 2156QF7O8M; (2R,3R)-2,3-dihydroxy-4-oxobutyl dihydrogen phosphate; E4P; Butanal, 2,3-dihydroxy-4-(phosphonooxy)-, (R-(R*,R*))-; 4-D-erythrosephosphoric acid; Erythrose 4-PO4; D-Erythrose 4-PO4; AC1L3UFJ; 4-O-phosphono-D-erythrose; SCHEMBL50110; AC1Q6S62; butanal, 2,3-dihydroxy-4-(phosphonooxy)-,(2r,3r)-
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) 200.08
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C4H9O7P
IUPAC Name
[(2R,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
Canonical SMILES
C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKey
NGHMDNPXVRFFGS-IUYQGCFVSA-N
Cross-matching ID
PubChem CID
122357
ChEBI ID
CHEMBL48153
CAS Number
585-18-2
UNII
2156QF7O8M
DrugBank ID
DB03937
TTD ID
D0KT4N
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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.