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]
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
CHEMBL17665
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]
Molecular Interaction Atlas (MIA) 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) 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.