ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL417675
CHEMBL417675
Compound Name PALMIDROL
ChEMBL Synonyms Palmidrol
Max Phase 0
Trade Names
Molecular Formula C18H37NO2

Additional synonyms for CHEMBL417675 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Standard InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2 ...
Download InChI
Standard InChI Key HXYVTAGFYLMHSO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL417675

Molecule Features

CHEMBL417675 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 PALMIDROL
The Cochrane Collaboration PALMIDROL

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 CHEMBL417675. 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
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 1.000
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 1.000
CHEMBL1865 Histone deacetylase 6 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.998
CHEMBL4140 Epoxide hydratase Mus musculus 0.996
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.996
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 0.994
CHEMBL4145 Histone deacetylase 9 Homo sapiens 0.992
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.989
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 0.987
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.986
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.986
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.985
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.981
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 0.980
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.962
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.949
CHEMBL285 Acyl coenzyme A:cholesterol acyltransferase 1 Rattus norvegicus 0.943



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 1.000
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL1865 Histone deacetylase 6 Homo sapiens 1.000
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 1.000
CHEMBL4140 Epoxide hydratase Mus musculus 0.999
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.999
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.999
CHEMBL4497 NADH-ubiquinone oxidoreductase chain 1 Bos taurus 0.999
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.999
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.999
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.998
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.990
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.990
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.989
CHEMBL4145 Histone deacetylase 9 Homo sapiens 0.989
CHEMBL3192 Histone deacetylase 8 Homo sapiens 0.985
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 0.982

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
299.5 299.2824 5.43 16 49.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.8 5.8 0 21 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL417675. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HXYVTAGFYLMHSO-UHFFFAOYSA-N
PubChem SID: 11113754 SID: 144203773 SID: 170466102 SID: 26751936 SID: 50104611 SID: 56463464 SID: 85231178 SID: 90341052
Wikipedia Palmitoylethanolamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL417675



ACToR 544-31-0
BindingDB 29083
Brenda 98315 94310 69574 5761 164720
ChEBI 71464
DrugCentral 2045
eMolecules 593132
EPA CompTox Dashboard DTXSID4042254
FDA SRS 6R8T1UDM3V
Guide to Pharmacology 3622
Human Metabolome Database HMDB0002100
IBM Patent System 43A3DEF777006897C1085D4E6DFEFF90
KEGG Ligand C16512
LINCS LSM-3518
LipidMaps LMFA08040013
Metabolights MTBLC71464
MolPort MolPort-003-708-445
Nikkaji J6.414I
PubChem 4671
PubChem: Thomson Pharma 14825223
Rhea 71464
SureChEMBL SCHEMBL19511663 SCHEMBL120518
ZINC ZINC000008035017

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