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
Affected Organisms
Humans and other mammals
ATC Code
D06BB05: Inosine
D06BB: Antivirals
D06B: CHEMOTHERAPEUTICS FOR TOPICAL USE
D06: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D: DERMATOLOGICALS
G01AX02: Inosine
G01AX: Other antiinfectives and antiseptics
G01A: ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G: GENITO URINARY SYSTEM AND SEX HORMONES
S01XA10: Inosine
S01XA: Other ophthalmologicals
S01X: OTHER OPHTHALMOLOGICALS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
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
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
Cross-matching ID
PubChem CID
135398641
ChEBI ID
CHEMBL1556
CAS Number
58-63-9
UNII
5A614L51CT
DrugBank ID
DB04335
INTEDE ID
DR2101
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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
Tumor necrosis factor ligand superfamily member 6 (FASLG) OTZARCHH TNFL6_HUMAN Gene/Protein Processing [2]
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 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.