INOSINE

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Synonyms
Status
Molecule Category Free-form
ATC D06BB05 G01AX02 S01XA10
UNII 5A614L51CT
EPA CompTox DTXSID2045993

Structure

InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N
Smiles O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N4O5
Molecular Weight 268.23
AlogP -2.27
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 133.49
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107.34-110.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 23
Chlorocebus sabaeus
- 0.23 - - -
Cricetulus griseus
- - - - 107.34-110.7

Related Entries

Cross References

Resources Reference
ChEBI 17596
ChEMBL CHEMBL1556
DrugBank DB04335
DrugCentral 3301
FDA SRS 5A614L51CT
Human Metabolome Database HMDB0000195
Guide to Pharmacology 4554
KEGG C00294
PDB NOS
PubChem 135398641
SureChEMBL SCHEMBL18653532
ZINC ZINC000008855117
CONTENTS