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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117348
CHEMBL117348
Compound Name FOLITIXORIN
ChEMBL Synonyms Folitixorin Calcium | Folitixorin | Cofactor | ANX-510
Max Phase 3
Trade Names
Molecular Formula C20H23N7O6

Additional synonyms for CHEMBL117348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)C2=C(NCC3CN(CN23)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C ...
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Standard InChI InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12 ...
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Standard InChI Key QYNUQALWYRSVHF-ABLWVSNPSA-N

Molecule Features

CHEMBL117348 compound icon
Drug Type:Natural Product Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL117348. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL117348

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 CHEMBL117348. 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
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 0.999
CHEMBL202 Dihydrofolate reductase Homo sapiens 0.998
CHEMBL6137 Thymidylate synthase Escherichia coli 0.846
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 0.767



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 0.990
CHEMBL6137 Thymidylate synthase Escherichia coli 0.954

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
457.4 457.171 -0.64 7 189.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 13 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.77 4 3.71 1 33 0.3

Compound Cross References

ChemSpider ChemSpider:QYNUQALWYRSVHF-ABLWVSNPSA-N
Wikipedia 5,10-Methylenetetrahydrofolate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117348



ChEBI 20502
eMolecules 36755983
IBM Patent System 36A533566734EC8084486CB88688037C
Nikkaji J356.347B
PubChem 108194
PubChem: Thomson Pharma 14760218 104229458 14931365
SureChEMBL SCHEMBL4097748 SCHEMBL16413214

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