Details of the Drug

General Information of Drug (ID: DMY65AR)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 268.23
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C10H12N4O5
IUPAC Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Canonical SMILES
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
InChI
UGQMRVRMYYASKQ-KQYNXXCUSA-N
InChIKey
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
Cross-matching ID
PubChem CID
135398641
ChEBI ID
CHEBI:17596
CAS Number
58-63-9
DrugBank ID
DB04335
INTEDE ID
DR2101

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytosolic 5'-nucleotidase II (NT5C2)
Main DME 		DE1DOKJ 5NTC_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Adenosine deaminase (ADA) OTOX2872 ADA_HUMAN Regulation of Drug Effects [2]
Tumor necrosis factor ligand superfamily member 6 (FASLG) OTZARCHH TNFL6_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.
2 A functional genetic variation of adenosine deaminase affects the duration and intensity of deep sleep in humans. Proc Natl Acad Sci U S A. 2005 Oct 25;102(43):15676-81.
3 Apoptosis induced by nucleosides in the human hepatoma HepG2. World J Gastroenterol. 2005 Oct 28;11(40):6381-4. doi: 10.3748/wjg.v11.i40.6381.