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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485259
CHEMBL485259
Compound Name EUCALYPTOL
ChEMBL Synonyms Eucalyptol
Max Phase 3
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL485259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC12CCC(CC1)C(C)(C)O2
Standard InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H ...
Download InChI
Standard InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N

Molecule Features

CHEMBL485259 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y 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 no structural alerts for CHEMBL485259

Alternate Forms of Compound in ChEMBL


CHEMBL485259

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 CHEMBL485259. 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
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.977
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.851
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.812
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.649
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.415
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.268



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.974
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.890
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.803
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.759
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.658
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.454
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.275
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.273

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
154.3 154.1358 2.15 0 9.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.34 5.65 5.03 5.02 0 11 0.52

Compound Cross References

ChemSpider ChemSpider:WEEGYLXZBRQIMU-UHFFFAOYSA-N
PubChem SID: 144204712 SID: 144209288 SID: 144213219 SID: 170465483 SID: 17389880 SID: 47193678 SID: 72164
Wikipedia Eucalyptol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485259



ACToR 470-82-6 10458-11-4
BindingDB 58275 53430
FDA SRS RV6J6604TK
Guide to Pharmacology 2464
Human Metabolome Database HMDB04472
IBM Patent System 039DA8029B9E98B78E0BA354F559813C
KEGG Ligand C09844
MolPort MolPort-003-929-343
Nikkaji J3.281F
NMRShiftDB 10008910
PubChem 2758
PubChem: Thomson Pharma 15120221
SureChEMBL SCHEMBL19622

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