Details of the Drug

General Information of Drug (ID: DM65XZJ)

Drug Name

5-deoxy-5-phosphono-D-arabinonate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

227.09

Logarithm of the Partition Coefficient (xlogp)

-3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C5H8O8P-3
IUPAC Name: 2,3,4-trihydroxy-5-phosphonatopentanoate
Canonical SMILES: C(C(C(C(C(=O)[O-])O)O)O)P(=O)([O-])[O-]
InChI: InChI=1S/C5H11O8P/c6-2(1-14(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/p-3
InChIKey: XCBNBIPHASXSKG-UHFFFAOYSA-K

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphogluconate dehydrogenase (PGD)	TTZ3IFB	6PGD_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Sugar derivatives as new 6-phosphogluconate dehydrogenase inhibitors selective for the parasite Trypanosoma brucei. Bioorg Med Chem. 2003 Apr 3;11(7):1207-14.