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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 0
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 0.975
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.852
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.647
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.428
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.366
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.267



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.970
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.891
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.814
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.805
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.660
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.289
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.275

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 -


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
- - 2.8 2.8 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
BindinDB 58275 53430
FDA SRS RV6J6604TK
Guide to Pharmacology 2464
Human Metabolome Database HMDB04472
IBM Patent System 039DA8029B9E98B78E0BA354F559813C
IBM Patents EP1937227B1 US20070218361 US6248135 EP0755267A1 EP1045822B1 US20020173436 EP1336345A1 US20100159068 US20050065062 US20050119148 EP1107665A1 EP2158896A2 WO1999065458A1 EP1971324A1 US20090227670 US20060003050 EP1921129A1 EP1548049B1 WO2008089906A1 US20080085783 US7252845 US20060147580 US20100078364 US20080124283 EP0697471B1 WO1993007874A1 EP1830661B1 US6284857 EP1981102A1 US20080225912 WO2007019883A1 WO2006014788A1 WO2006093537A1 EP2200430A1 US20080317788 US20080260901 US5214027 US6921745 US20100287710 EP1326955B1 WO2006032666A1 EP1232761A1 US20080075793 US20080027575 WO2008089907A1 EP1408932A1 WO1998001134A1 WO2006124229A2 WO2006068665A1 EP1897932A1 WO2008049520A1 US5667799 US7115173 EP0341202A1 US20050025823 US20050095306 US7786331 EP0299494B1 US7241544 US6506368 US20090238905 WO2008019498A1 US7658956 US20070248552 EP1107665B1 US20080221003 WO2008085446A2 EP1698331B1 WO2008019785A2 US6258857 US20100323464 EP2266421A1 EP2124575A2 US6146621 US20070297993 US20100009254 EP2026750A1 EP2026750B1 EP2000452A1 US20030192562 US20060263311 US20090136667 US20100266685 US7655820 EP1847588A1 US20060051455 WO2008106979A2 US20030044368 EP0774979B1 US20090214698 US20100200841 WO2008040620A1 US20060110896 US20090257952 US20100163801 WO2008012140A1 US7182941 US6673756 US6541042 US20060292098
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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