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: CHEBI:49128
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)

MIA Detail

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.