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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107429
CHEMBL2107429
Compound Name FOLATE SODIUM
ChEMBL Synonyms Folate Sodium
Max Phase 0
Trade Names
Molecular Formula C19H18N7NaO6

Additional synonyms for CHEMBL2107429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O) ...
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Standard InChI InChI=1S/C19H19N7O6.Na/c20-19-25-15-14(17(30)26-19)23-11(8-2 ...
Download InChI
Standard InChI Key ZTYOEHTVHXWFJT-YDALLXLXSA-M

Molecule Features

CHEMBL2107429 compound icon
Drug Type:Natural Product Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Structural Alerts

There are 2 structural alerts for CHEMBL2107429. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL2107429

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2107429. 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
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL6137 Thymidylate synthase Escherichia coli 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 0.999
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.989
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.811



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 1.000
CHEMBL6137 Thymidylate synthase Escherichia coli 1.000
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.981
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.596
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 0.469
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.466

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
441.4 441.1397 -0.23 9 208.98 ACID


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
3.48 - -.99 -5.72 2 32 0.3

Compound Cross References

ChemSpider ChemSpider:ZTYOEHTVHXWFJT-YDALLXLXSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107429



PubChem 86738429 23719533

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZTYOEHTVHXWFJT-YDALLXLXSA-M spacer
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