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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL271475
CHEMBL271475
Compound Name FIALURIDINE
ChEMBL Synonyms FIAU | Fialuridine
Max Phase 0
Trade Names
Molecular Formula C9H10FIN2O5

Additional synonyms for CHEMBL271475 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N2C=C(I)C(=O)NC2=O
Standard InChI InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16 ...
Download InChI
Standard InChI Key IPVFGAYTKQKGBM-BYPJNBLXSA-N

Molecule Features

CHEMBL271475 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


CHEMBL271475

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL271475. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3415 Thymidine kinase Human herpesvirus 2 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 0.997
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 0.994
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.993
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.984
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.941
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.809
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 0.709



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 1.000
CHEMBL3415 Thymidine kinase Human herpesvirus 2 1.000
CHEMBL4580 Thymidine kinase, mitochondrial Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL2361 Thymidylate kinase Mycobacterium tuberculosis 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL1795127 Thymidine kinase Human herpesvirus 1 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL3106 Thymidine phosphorylase Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
372.1 371.9618 -1.23 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
7.94 - .12 0 0 18 1 0.53

Compound Cross References

ChemSpider ChemSpider:IPVFGAYTKQKGBM-BYPJNBLXSA-N
Wikipedia Fialuridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL271475



PubChem: Drugs of the Future 12013388
ZINC ZINC04216113
eMolecules 6842900
IBM Patent System 9B23F5DD139E3C2B43F9232DCB0AE9A6
Patent EP0494776A1
FDA SRS 53T7IN77LC
SureChem SureCN3189
PubChem: Thomson Pharma 14779629
PubChem 50313

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