ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615371
CHEMBL1615371
Compound Name LEVOMEFOLATE CALCIUM
ChEMBL Synonyms LMCA | BODYFOLIN | NUTRIFOLIN | METAFOLIN | LEVOMEFOLATE CALCIUM
Max Phase 4 (Approved)
Trade Names BODYFOLIN | METAFOLIN | NUTRIFOLIN
Molecular Formula C20H23CaN7O6

Additional synonyms for CHEMBL1615371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[ ...
Download SMILES
Standard InChI InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21 ...
Download InChI
Standard InChI Key VWBBRFHSPXRJQD-QNTKWALQSA-L

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1615371

Molecule Features

CHEMBL1615371 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 LEVOMEFOLATE CALCIUM
The Cochrane Collaboration LEVOMEFOLATE CALCIUM

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1615371. 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 CHEMBL1615371. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWBBRFHSPXRJQD-QNTKWALQSA-L
DailyMed levomefolate calcium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615371



ACToR 151533-22-1
eMolecules 36905371
FDA SRS A9R10K3F2F
MolPort MolPort-023-220-062 MolPort-035-758-319 MolPort-028-744-528
Nikkaji J3.299.557H
PubChem 15341110 102132842 71306696
PubChem: Thomson Pharma 49694867 57557542

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VWBBRFHSPXRJQD-QNTKWALQSA-L spacer
spacer