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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1622
CHEMBL1622
Compound Name FOLIC ACID
ChEMBL Synonyms BIO SCIENCE | ROCHE | NATUR FLOW | FOLSAN | FOLICET | FOLACIN | PRECONCEIVE | LEXPEC | Vitamin Bc | PTEROYLGLUTAMIC ACID | FOLICARE | FOLATE SODIUM | Vitamin M | FOLVITE | FOLIC ACID
Max Phase 4 (Approved)
Trade Names FOLICET | FOLSAN | NATUR FLOW | ROCHE | FOLICARE | Vitamin Bc | FOLIC ACID | FOLVITE | Vitamin M | BIO SCIENCE | LEXPEC | PRECONCEIVE
Molecular Formula C19H19N7O6

Additional synonyms for CHEMBL1622 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2 ...
Download SMILES
Standard InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-1 ...
Download InChI
Standard InChI Key OVBPIULPVIDEAO-LBPRGKRZSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1622

Molecule Features

CHEMBL1622 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov FOLIC ACID
The Cochrane Collaboration FOLIC 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 CHEMBL1622. 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
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL3972 GAR transformylase Homo sapiens 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL325 Histone deacetylase 1 Homo sapiens 1.000
CHEMBL6137 Thymidylate synthase Escherichia coli 1.000
CHEMBL1937 Histone deacetylase 2 Homo sapiens 0.999
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.996
CHEMBL1865 Histone deacetylase 6 Homo sapiens 0.949
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 0.948
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.596



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL202 Dihydrofolate reductase 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
CHEMBL1952 Thymidylate synthase Homo sapiens 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL6137 Thymidylate synthase Escherichia coli 1.000
CHEMBL6194 Pteridine reductase 1 Leishmania major 1.000
CHEMBL325 Histone deacetylase 1 Homo sapiens 1.000
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.999
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 0.995
CHEMBL1865 Histone deacetylase 6 Homo sapiens 0.995
CHEMBL1937 Histone deacetylase 2 Homo sapiens 0.982
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.613

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
441.4 441.1397 -0.04 9 213.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 1 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 3 32 0.26

Structural Alerts

There are 2 structural alerts for CHEMBL1622. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B03 - ANTIANEMIC PREPARATIONS
B03B - VITAMIN B12 AND FOLIC ACID
B03BB - Folic acid and derivatives
B03BB01 - folic acid

B - BLOOD AND BLOOD FORMING ORGANS
B03 - ANTIANEMIC PREPARATIONS
B03B - VITAMIN B12 AND FOLIC ACID
B03BB - Folic acid and derivatives
B03BB51 - folic acid, combinations

ChemSpider ChemSpider:OVBPIULPVIDEAO-LBPRGKRZSA-N
DailyMed folic acid
PubChem SID: 11112150 SID: 144205112 SID: 144210447 SID: 170464833 SID: 26754169 SID: 50085945
Wikipedia Folic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1622



ACToR 33609-88-0
BindingDB 50367343
Brenda 19682 1322 49991 96507 30367 2840 170829 98564 218797 12672 10763 108872 150199 142288 96506 98605 46495 12830
ChEBI 27470
ChemicalBook CB5100903
DrugBank DB00158
DrugCentral 1231
eMolecules 474902 5748014 36758208 884420
EPA CompTox Dashboard DTXSID0022519
FDA SRS 935E97BOY8
Guide to Pharmacology 4563 4562
Human Metabolome Database HMDB0000121
IBM Patent System 1E19B0549924C060BF2D848BAD62BA34
KEGG Ligand C00504
LINCS LSM-5355
Mcule MCULE-1208976029
Metabolights MTBLC27470
MolPort MolPort-003-665-625 MolPort-044-561-726 MolPort-008-266-632 MolPort-004-285-551
NIH Clinical Collection SAM002264616
Nikkaji J1.392G
NMRShiftDB 20096834
PDBe FOL
PharmGKB PA449692
PubChem 6037
PubChem: Drugs of the Future 56310593
PubChem: Thomson Pharma 14930521 14857129 16028504 49755686 16077361
SureChEMBL SCHEMBL3876
ZINC ZINC000008577218

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