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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501916
CHEMBL501916
Compound Name LODENOSINE
ChEMBL Synonyms LODENOSINE | F-DDA
Max Phase 0
Trade Names
Molecular Formula C10H12FN5O2

Additional synonyms for CHEMBL501916 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C[C@@H]3F
Standard InChI InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)1 ...
Download InChI
Standard InChI Key KBEMFSMODRNJHE-JFWOZONXSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL501916

Molecule Features

CHEMBL501916 compound icon
Drug Type:Natural Product-derived 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 Data

ClinicalTrials.gov LODENOSINE
The Cochrane Collaboration LODENOSINE

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 CHEMBL501916. 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
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3740 Poly [ADP-ribose] polymerase-1 Mus musculus 1.000
CHEMBL251 Adenosine A2a receptor Homo sapiens 1.000
CHEMBL4975 Adenosine A1 receptor Bos taurus 0.999
CHEMBL1910 Adenosine deaminase Homo sapiens 0.998
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.987
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.980



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL6069 Pantothenate synthetase Mycobacterium tuberculosis 1.000
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 1.000
CHEMBL3740 Poly [ADP-ribose] polymerase-1 Mus musculus 1.000
CHEMBL251 Adenosine A2a receptor Homo sapiens 1.000
CHEMBL1910 Adenosine deaminase Homo sapiens 1.000
CHEMBL2605 Adenosine A2a receptor Cavia porcellus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
253.2 253.0975 -0.37 2 99.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.82 .09 .09 2 18 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL501916. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KBEMFSMODRNJHE-JFWOZONXSA-N
Wikipedia Lodenosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501916



EPA CompTox Dashboard DTXSID90149154
FDA SRS 3WB2LGT4R1
IBM Patent System 5185DA40883918545344A1D1B5E3112D
Nikkaji J274.986F
PubChem 72180
PubChem: Drugs of the Future 12014300
PubChem: Thomson Pharma 15221252 14749919
SureChEMBL SCHEMBL97908
ZINC ZINC000003783669

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