Details of the Drug

General Information of Drug (ID: DMMPL3D)

Drug Name

2-Deoxy-Glucose-6-Phosphate

Synonyms

D6G; 2-Deoxy-6-O-Phosphono-Alpha-D-Arabino-Hexopyranose; 2pri; AC1L9N1X; ZINC4097095; 2-deoxy-alpha-D-glucopyranose 6-phosphate; [(2R,3S,4R,6S)-3,4,6-trihydroxyoxan-2-yl]methyl 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)

244.14

Topological Polar Surface Area (xlogp)

-3.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C6H13O8P
IUPAC Name: [(2R,3S,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O
InChI: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1
InChIKey: UQJFZAAGZAYVKZ-KAZBKCHUSA-N

Cross-matching ID

PubChem CID: 46936435
DrugBank ID: DB02604
TTD ID: D0U8RR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen phosphorylase muscle form (GP)	DTT	PYGM	2.69E-01	-0.23	-0.14

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Synthesis of 3-deoxypentacyclic triterpene derivatives as inhibitors of glycogen phosphorylase. J Nat Prod. 2009 Aug;72(8):1414-8.
3	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026877)
4	Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystal... J Med Chem. 2008 Jun 26;51(12):3540-54.