Details of the Drug

General Information of Drug (ID: DMR0EVN)

Drug Name

Alpha-D-Glucose-6-Phosphate

Synonyms

6-O-phosphono-alpha-D-glucopyranose; UNII-03JQ7I74CO; 03JQ7I74CO; CHEBI:17665; alpha-D-Glucopyranose, 6-(dihydrogen phosphate); alpha-D-glucopyranose 6-(dihydrogen phosphate); 15209-11-7; alpha-D-glucopyranose 6-phosphate; G6P; 1gpy; Epitope ID:144999; SCHEMBL6598; AC1L971Q; NBSCHQHZLSJFNQ-DVKNGEFBSA-N; CHEBI:136602; ZINC3875375; DB02007; C00668; WURCS=2.0/1,1,0/[a2122h-1a_1-5_6*OPO/3O/3=O]/1/

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): 2

Molecular Weight (mw)

260.14

Logarithm of the Partition Coefficient (xlogp)

-4.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C6H13O9P
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N

Cross-matching ID

PubChem CID: 439284
ChEBI ID: CHEBI:17665
CAS Number: 15209-11-7
UNII: 03JQ7I74CO
DrugBank ID: DB02007
TTD ID: D01AWD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_HUMAN	Inhibitor	[1]
Bacterial Glucosamine-6-phosphate synthase (Bact glmS)	TTC67I0	GLMS_ECOLI	Inhibitor	[1]
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_HUMAN	Inhibitor	[1]
Pseudomonas Phosphomannomutase/phosphoglucomutase (Pseudo algC)	TTLP3GX	ALGC_PSEAE	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.