Details of the Drug

General Information of Drug (ID: DMMC8IG)

Drug Name
2-Deoxy-2fluoro-Glucose
Synonyms
2-deoxy-2-fluoro-beta-D-glucopyranose; 2-DEOXY-2FLUORO-GLUCOSE; UNII-41XAV5II5H; 41XAV5II5H; CHEBI:49128; 2-deoxy-2-fluoro-beta-D-glucose; NSC-240588; AC1NRBA5; beta-D-Fludeoxyglucopyranose; SCHEMBL4323343; CHEMBL1235932; ZINC4329335; G2F; 2-Fluoro-2-deoxy-beta-D-glucopyranose; beta-D-Glucopyranose, 2-deoxy-2-fluoro-; WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*F]/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): 0 Molecular Weight (mw) 182.15
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H11FO5
IUPAC Name
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O
InChI
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
ZCXUVYAZINUVJD-QZABAPFNSA-N
Cross-matching ID
PubChem CID
5288324
ChEBI ID
CHEMBL49128
CAS Number
38711-37-4
TTD ID
D0X4EB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactase-phlorizin hydrolase (LCT) TTA0OSE LPH_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.