Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5309)
Drug Name
2-deoxyglucose
Synonyms
154-17-6; Deoxyglucose; 2-Deoxy-D-mannose; 2-Deoxy-D-arabinohexose; UNII-9G2MP84A8W; D-Arabino-hexose, 2-deoxy-; HSDB 5484; arabino-Hexose, 2-deoxy-; D-Glucose, 2-deoxy-; 9G2MP84A8W; (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal; AK-44445; 2 Deoxyglucose; 2 Deoxy D glucose; 2 Desoxy D glucose; D-arabino-2-desoxyhexose; d-2-glucodesose; D-2dGlc; deoxy-d-glucose, 2-; 2-DEOXYLGLUCOSE; 2-INNo-D-AEIIC; SCHEMBL7670; AC1L33KH; KSC175S5P; 4-01-00-04282 (Beilstein Handbook Reference); Jsp003004; CHEMBL2074932; CTK0H5957; MolPort-002-317-302; 2-deoxy-D-glucose
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 164.16 Topological Polar Surface Area 98
Heavy Atom Count 11 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
108223
CAS Number
154-17-6
TTD Drug ID
D0H3KI
Formula
C6H12O5
Canonical SMILES
C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1
InChIKey
VRYALKFFQXWPIH-PBXRRBTRSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
2DG-6-P DM019925 N. A. Conjugation - Phosphorylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012752 2-deoxyglucose 2DG-6-P Conjugation - Phosphorylation HK [2]
References
1 ClinicalTrials.gov (NCT00633087) A Phase I/II Trial of 2-Deoxyglucose (2DG) for the Treatment of Advanced Cancer and Hormone Refractory Prostate Cancer. U.S. National Institutes of Health.
2 2-Deoxyglucose and Beta-Hydroxybutyrate: Metabolic Agents for Seizure Control

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.