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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1679
CHEMBL1679
Compound Name LEUCOVORIN
ChEMBL Synonyms Leucovorin | WELLCOVORIN | SODIUM FOLINATE | FUSILEV | CALCIUM FOLINATE | LEUCOVORIN CALCIUM PRESERVATIVE FREE | FOLINIC ACID | CITROVORUM FACTOR | FOLACAL | FOLINATE-SF CALCIUM | LEUCOVORIN CALCIUM | CALC FOLINATE
Max Phase 4 (Approved)
Trade Names LEUCOVORIN CALCIUM PRESERVATIVE FREE | FUSILEV | WELLCOVORIN | CALC FOLINATE | LEUCOVORIN CALCIUM | FOLACAL
Molecular Formula C20H23N7O7

Additional synonyms for CHEMBL1679 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8 ...
Download InChI
Standard InChI Key VVIAGPKUTFNRDU-ABLWVSNPSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1679

Molecule Features

CHEMBL1679 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov LEUCOVORIN
The Cochrane Collaboration LEUCOVORIN

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 CHEMBL1679. 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
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 0.999
CHEMBL6137 Thymidylate synthase Escherichia coli 0.723



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
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL6137 Thymidylate synthase Escherichia coli 0.992

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
473.5 473.1659 -0.73 10 219.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 1 14 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 5.66 -1.43 -6.05 2 34 0.21

Structural Alerts

There are 6 structural alerts for CHEMBL1679. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AF - Detoxifying agents for antineoplastic treatment
V03AF06 - sodium folinate

V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AF - Detoxifying agents for antineoplastic treatment
V03AF03 - calcium folinate

ChemSpider ChemSpider:VVIAGPKUTFNRDU-ABLWVSNPSA-N
DailyMed leucovorin calcium
Wikipedia Folinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1679



ACToR 121521-95-7
Brenda 44963 153403 20574 154387 18663
ChEBI 15640
DrugBank DB00650
DrugCentral 1232
eMolecules 30151903
EPA CompTox Dashboard DTXSID0048216
Guide to Pharmacology 6690 4816
IBM Patent System CF2E9A4103B3983B6A976FBA22EC33CB
LINCS LSM-5146
Metabolights MTBLC15640
MolPort MolPort-046-418-336
Nikkaji J9.322J
PharmGKB PA450198
PubChem 6006
PubChem: Thomson Pharma 16150903 15332102 14883119 14785283
SureChEMBL SCHEMBL8349

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