Details of the Drug

General Information of Drug (ID: DMLDHMB)

Drug Name
2,5-Anhydroglucitol-1,6-Biphosphate
Synonyms
2,5-Anhydroglucitol-1,6-Biphosphate; 2,5-Anhydro-D-glucitol-1,6-diphosphate; 2,5-Anhydro-D-glucitol 1,6-diphosphate; 4429-47-4; AHG; 2,5-Anhydroglucitol 1,6-Bisphosphate; AC1L9I6X; SCHEMBL20154711; ZINC3870733; AKOS032954084; DB02778; 2,5-anhydro-1,6-di-O-phosphono-D-glucitol; 2,5-Anhydro-D-glucitol 1,6-bisphosphoric acid; W-202770; [(2R,3S,4S,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-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): 3 Molecular Weight (mw) 324.12
Logarithm of the Partition Coefficient (xlogp) -4.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C6H14O11P2
IUPAC Name
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKey
WSMBXSQDFPTODV-JGWLITMVSA-N
Cross-matching ID
PubChem CID
445555
DrugBank ID
DB02778
TTD ID
D0C2YL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fructose-1,6-bisphosphatase (FBP) TTWHDVK F16P1_HUMAN ; F16P2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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.