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ChEMBL Statistics
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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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL417675

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 0.999
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.998
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.996
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 0.995
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 0.995
CHEMBL4140 Epoxide hydratase Mus musculus 0.993
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.993
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.987
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 0.986
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.969
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.964
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.953
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.951
CHEMBL1865 Histone deacetylase 6 Homo sapiens 0.947
CHEMBL1945 Melatonin receptor 1A Homo sapiens 0.900
CHEMBL4145 Histone deacetylase 9 Homo sapiens 0.893
CHEMBL1946 Melatonin receptor 1B Homo sapiens 0.874
CHEMBL2563 Histone deacetylase 5 Homo sapiens 0.850



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
CHEMBL5103 Histone deacetylase 10 Homo sapiens 1.000
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.999
CHEMBL4140 Epoxide hydratase Mus musculus 0.999
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.998
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.998
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.997
CHEMBL4497 NADH-ubiquinone oxidoreductase chain 1 Bos taurus 0.995
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.994
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 0.992
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.992
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.986
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.984
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 0.978
CHEMBL1865 Histone deacetylase 6 Homo sapiens 0.974
CHEMBL3192 Histone deacetylase 8 Homo sapiens 0.952
CHEMBL5351 Transcriptional activator protein luxR Aliivibrio fischeri 0.924

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

Compound Cross References

ChemSpider ChemSpider:HXYVTAGFYLMHSO-UHFFFAOYSA-N
PubChem SID: 11113754 SID: 144203773 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
BindinDB 29083
ChEBI 71464
eMolecules 593132
FDA SRS 6R8T1UDM3V
Guide to Pharmacology 3622
Human Metabolome Database HMDB02100
IBM Patent System 43A3DEF777006897C1085D4E6DFEFF90
IBM Patents EP1813256A1 WO2008147553A1 EP1874410A1 US20100015186 EP1943245A2 EP1722764A1 US7544676 US20100041670 WO2007047575A2 EP2150820A1 WO2006014484A2 EP2055296A1 USRE39634 US6949574 US20090318526 US7687503 US20050026805 EP1115392B1 WO2005002525A2 US5990170 WO2008157500A1 US7632850 US20070021426 WO2008075978A2 WO2007140005A2 US7749953 US20100009971 EP1408945A2 WO2008100977A2 EP1643962A1 WO2009133574A1 EP1083921A1 US7812025 US7297796 US20070004741 EP2146992A1 US7244767 WO2009109345A1 US20090099240 EP1598051B1 EP2023728A2 US5653970 EP1811993A2 WO2009109743A1 US20090209536 EP1259478A1 WO2009012227A1 WO2007030574A2 US4242377 US20070238773 US20070021405 EP1708994A1 EP0751947A1 US20080269325 WO2006119329A2 WO2008021625A2 WO2004078261A1 EP1100519A1 EP0550006A3 US20020077322 WO2008104294A1 WO2006014540A2 US20060216251 EP0570714A3 EP1917007A2 WO2006060456A2 WO2002080860A2 EP2192888A2 WO2006080040A1 WO2002080903A1 EP1803436B1 WO2008093194A1 US6320088 WO2010089510A2 EP2254415A1 US20060173184 WO2008145843A1 EP1923388A1 WO2000038671A1 US20070021403 US7119116 WO2006036994A2 US20080119549 EP1962999A1 US7316928 US20090264653 WO2001001980A1 US20100075931 EP1598051A1 EP1720872A1 US6911474 EP1954137A2 US5679667 EP0799188A2 US5243035 WO2002029057A2 US20040018151 EP1836179A1 US20100272790 WO2004033422A2
KEGG Ligand C16512
LINCS LSM-3518
MolPort MolPort-003-708-445
Nikkaji J6.414I
PubChem 4671
PubChem: Thomson Pharma 14825223
SureChEMBL SCHEMBL120518
ZINC ZINC08035017

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