ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL220190
CHEMBL220190
Compound Name ASCORBYL PALMITATE
ChEMBL Synonyms ASCORBYL PALMITATE | E304
Max Phase 0
Trade Names
Molecular Formula C22H38O7

Additional synonyms for CHEMBL220190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
Standard InChI InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24 ...
Download InChI
Standard InChI Key QAQJMLQRFWZOBN-LAUBAEHRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL220190

Molecule Features

CHEMBL220190 compound icon
Drug Type:Natural Product-derived 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

Clinical Data

ClinicalTrials.gov ASCORBYL PALMITATE
The Cochrane Collaboration ASCORBYL PALMITATE

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 CHEMBL220190. 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
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL3691 Autotaxin Homo sapiens 0.998
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.993
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.974
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.956
CHEMBL2034805 N-acylethanolamine-hydrolyzing acid amidase Rattus norvegicus 0.945
CHEMBL4804 Dual specificity phosphatase Cdc25B Homo sapiens 0.883
CHEMBL3582 Protein kinase C epsilon Homo sapiens 0.878
CHEMBL2938 Protein kinase C gamma Homo sapiens 0.692
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.513
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.512
CHEMBL1987 Prostanoid FP receptor Homo sapiens 0.278



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL3691 Autotaxin Homo sapiens 0.998
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.995
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.993
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.957
CHEMBL2034805 N-acylethanolamine-hydrolyzing acid amidase Rattus norvegicus 0.883
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.665
CHEMBL4804 Dual specificity phosphatase Cdc25B Homo sapiens 0.509
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.434
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.414
CHEMBL3582 Protein kinase C epsilon Homo sapiens 0.396
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.347
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.246
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
414.5 414.2618 5.27 18 113.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.96 - 4.97 1.76 0 29 0.21

Structural Alerts

There are 11 structural alerts for CHEMBL220190. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QAQJMLQRFWZOBN-LAUBAEHRSA-N
PubChem SID: 144207186 SID: 144212243
Wikipedia Ascorbyl_palmitate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL220190



BindingDB 50451094
Brenda 109089 84958 74351
eMolecules 494833
EPA CompTox Dashboard DTXSID3041611
FDA SRS QN83US2B0N
MolPort MolPort-003-929-318
Nikkaji J5.632D J2.486.960A
PubChem 54680660
PubChem: Thomson Pharma 16138025
Selleck L-Ascorbyl-6-palmitate
SureChEMBL SCHEMBL15363
ZINC ZINC000100004322

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