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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:48153
CAS Number: 585-18-2
DrugBank ID: DB03937
TTD ID: D0KT4N

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)

MIA Detail

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.