ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL82293
CHEMBL82293
Compound Name PALMITIC ACID
ChEMBL Synonyms PALMITIC ACID
Max Phase 0
Trade Names
Molecular Formula C16H32O2

Additional synonyms for CHEMBL82293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17 ...
Download InChI
Standard InChI Key IPCSVZSSVZVIGE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL82293

Molecule Features

CHEMBL82293 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PALMITIC ACID
The Cochrane Collaboration PALMITIC 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 CHEMBL82293. 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
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 1.000
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.999
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.999
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 0.999
CHEMBL1987 Prostanoid FP receptor Homo sapiens 0.999
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.999
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.998
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 0.998
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 0.997
CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase Homo sapiens 0.996
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.995
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 0.994
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 0.991
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.989
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.976
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.971



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL1628461 Oxoeicosanoid receptor 1 Homo sapiens 1.000
CHEMBL2304401 Cytosolic phospholipase A2 Bos taurus 1.000
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 0.999
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.999
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 0.999
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.999
CHEMBL1860 Thyroid hormone receptor alpha Homo sapiens 0.998
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.998
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 0.997
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.997
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 0.996

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
256.4 256.2402 6.39 14 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 6.81 4.22 0 18 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL82293. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IPCSVZSSVZVIGE-UHFFFAOYSA-N
DailyMed palmitic acid
PubChem SID: 144205658 SID: 144208869 SID: 144213283 SID: 170465588 SID: 26757777
Wikipedia Palmitic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL82293



ACToR 116860-99-2 57-10-3
Atlas palmitate
BindingDB 50152850
Brenda 97712 4529 30151 45639 517 64992 535 16189 97710
ChEBI 15756
DrugBank DB03796
eMolecules 26753504 492637
EPA CompTox Dashboard DTXSID2021602
FDA SRS 2V16EO95H1
Guide to Pharmacology 1055
Human Metabolome Database HMDB0000220
IBM Patent System ED90CE7C5187E197C4ED5F22D19062C3
KEGG Ligand C00249
LipidMaps LMFA01010001
Mcule MCULE-1361949901
Metabolights MTBLC15756
MolPort MolPort-001-780-241
Nikkaji J1.378A
PDBe PLM
PubChem 985
PubChem: Thomson Pharma 15196917
SureChEMBL SCHEMBL6177
ZINC ZINC000006072466

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