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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL105318
CHEMBL105318
Compound Name ALOVUDINE
ChEMBL Synonyms SID144205929 | CL-184824 | Alovudine
Max Phase 0
Trade Names
Molecular Formula C10H13FN2O4

Additional synonyms for CHEMBL105318 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O
Standard InChI InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4- ...
Download InChI
Standard InChI Key UXCAQJAQSWSNPQ-XLPZGREQSA-N

Molecule Features

CHEMBL105318 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL105318

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
244.2 244.0859 -0.3 0 2 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.55 - -.2 -.2 0 17 0 0.7

Compound Cross References

ChemSpider ChemSpider:UXCAQJAQSWSNPQ-XLPZGREQSA-N
PubChem SID: 144205929
Wikipedia Alovudine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL105318



PubChem: Drugs of the Future 12014132
ZINC ZINC01725270
eMolecules 500852
IBM Patent System 8A92EFAAABB0188A92F8517165C141FD
Patent EP0817790A1 EP0725641B1 EP0482081B1 EP0741740B1 EP0725641A1 EP0482081A1 EP0741740A1
FDA SRS PG53R0DWDQ
PubChem: Thomson Pharma 14774145 15221019
PubChem 33039

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UXCAQJAQSWSNPQ-XLPZGREQSA-N spacer
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