INOSINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D06BB05
UNII: 5A614L51CT

Structure
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Jaundice, Obstructive 3 D041781 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Multiple System Atrophy 2 D019578 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 58-63-9
ChEBI 17596
ChEMBL CHEMBL1556
DrugBank DB04335
DrugCentral 3301
EPA CompTox DTXSID2045993
FDA SRS 5A614L51CT
Human Metabolome Database HMDB0000195
Guide to Pharmacology 4554
KEGG C00294
PDB NOS
PubChem 135398641
SureChEMBL SCHEMBL18653532
ZINC ZINC000008855117
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