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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1231574
CHEMBL1231574
Compound Name LEVOMEFOLIC ACID
ChEMBL Synonyms METAFOLIN | LEVOMEFOLIC ACID | BODYFOLIN | NUTRIFOLIN | LMSR | LEVOMEFOLATE CALCIUM | LMCA
Max Phase 4 (Approved)
Trade Names METAFOLIN | NUTRIFOLIN | BODYFOLIN
Molecular Formula C20H25N7O6

Additional synonyms for CHEMBL1231574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNC3=C1C( ...
Download SMILES
Standard InChI InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25 ...
Download InChI
Standard InChI Key ZNOVTXRBGFNYRX-STQMWFEESA-N

Sources

  • Orange Book
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1231574

Molecule Features

CHEMBL1231574 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Clinical Data

ClinicalTrials.gov LEVOMEFOLIC ACID
The Cochrane Collaboration LEVOMEFOLIC ACID

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 CHEMBL1231574. 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
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 0.996
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.989
CHEMBL6137 Thymidylate synthase Escherichia coli 0.321



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.998
CHEMBL6137 Thymidylate synthase Escherichia coli 0.836

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
459.5 459.1866 -0.26 9 202.77 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 1 13 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 9.3 .15 -3.35 2 33 0.26

Structural Alerts

There are 2 structural alerts for CHEMBL1231574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZNOVTXRBGFNYRX-STQMWFEESA-N
DailyMed levomefolate calcium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1231574



ACToR 31690-09-2
BindingDB 50391007
Brenda 120751 50072 20049 1373 20638 44559 20640 19106 91944 174938 30260
ChEBI 136009 15641
ChemicalBook CB72379121
DrugBank DB11256
DrugCentral 4621
EPA CompTox Dashboard DTXSID00185583
FDA SRS 8S95DH25XC
IBM Patent System 127787838B80409E2488DEC0717988B5
Metabolights MTBLC15641
MolPort MolPort-006-169-962
Nikkaji J367.206I
PDBe C2F THH
PharmGKB PA166129561
PubChem 444412
PubChem: Thomson Pharma 15318367 49661921 16041004
SureChEMBL SCHEMBL79586
ZINC ZINC000002005305

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