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

General Information of Drug (ID: DR2101)
Drug Name
Inosine
Synonyms
Atorel; Hypoxanthine D-riboside; Hypoxanthine nucleoside; Hypoxanthine ribonucleoside; Hypoxanthine riboside; Hypoxanthosine; INO 495; Inosie; Inosin; Inosina; Inosina [INN-Spanish]; Inosine [INN:JAN]; Inosinum; Inosinum [INN-Latin]; Oxiamin; Panholic-L; Pantholic-L; Ribonosine; Selfer; Trophicardyl; beta-Inosine; hypoxanthine-ribose; inosine; iso-prinosine; (-)-Inosine; 58-63-9; 9-beta-D-Ribofuranosylhypoxanthine; AI3-52241; Hypoxanthine, 9-beta-D-ribofuranosyl-; Hypoxanthine-9-beta-D-ribofuranoside; MFCD00066770; NSC 20262
Indication Haemorrhagic stroke [ICD11: 8B20] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 268.23 Topological Polar Surface Area 129
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
135398641
ChEBI ID
CHEBI:17596
CAS Number
58-63-9
Formula
C10H12N4O5
Canonical SMILES
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
InChI
1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKey
UGQMRVRMYYASKQ-KQYNXXCUSA-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
IMP DM001534
135398640
Unclear 1 [3] , [4]
Naproxen metabolite M1 DM003064
135398638
Unclear 1 [3] , [4]
Unclear DM009999 N. A. Unclear 1 [3] , [4]
Xanthine DM003088
1188
Unclear 2 [3]
Uric acid DM000021
1175
Unclear 3 [3]
Allantion DM006905
439714
Unclear 4 [3]
Allantoic acid DM003591
203
Unclear 5 [3]
CO2 DM000908
280
Unclear 6 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007507 Inosine Hypoxanthine Unclear PNP [3], [4]
MR007513 Inosine Unclear Unclear NT5C2 [3], [4]
MR007514 Inosine IMP Unclear HPRT1 [3], [4]
MR007508 Hypoxanthine Xanthine Unclear Unclear [3]
MR007509 Xanthine Uric acid Unclear Unclear [3]
MR007510 Uric acid Allantion Unclear Unclear [3]
MR007511 Allantion Allantoic acid Unclear Unclear [3]
MR007512 Allantoic acid Carbon dioxide Unclear Unclear [3]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytosolic 5'-nucleotidase II (NT5C2) DME0482 Homo sapiens
5NTC_HUMAN
3.1.3.5
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Cytosolic 5'-nucleotidase II (NT5C2) DME0482 Km = 1.8 microM
5NTC_HUMAN
[2]
References
1 Boston Life Sciences Announces Issuance of Inosine Patent for Treatment of Spinal Cord Injury.
2 Phosphorylation of ribavirin and viramidine by adenosine kinase and cytosolic 5'-nucleotidase II: Implications for ribavirin metabolism in erythrocytes. Antimicrob Agents Chemother. 2005 Jun;49(6):2164-71.
3 Metabolism of nicotinamide, adenine and inosine in developing microspore-derived canola (Brassica napus) embryos
4 Inosine in Biology and Disease

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