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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106002
CHEMBL2106002
Compound Name CICLIOMENOL
ChEMBL Synonyms CICLIOMENOL
Max Phase 0
Trade Names
Molecular Formula C14H19IO

Additional synonyms for CHEMBL2106002 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(O)c(C2CCCCC2)c(C)c1I
Standard InChI InChI=1S/C14H19IO/c1-9-8-12(16)13(10(2)14(9)15)11-6-4-3-5-7- ...
Download InChI
Standard InChI Key YDHKCEOBMPNVDR-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106002

Molecule Features

CHEMBL2106002 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

ClinicalTrials.gov CICLIOMENOL
The Cochrane Collaboration CICLIOMENOL

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106002. 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 1.000
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 0.997
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.996
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.804
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.633
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 0.266



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.999
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.995
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 0.960
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.936
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.767

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
330.2 330.0481 4.66 1 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.85 - 6.34 6.34 1 16 0.74

Structural Alerts

There are 5 structural alerts for CHEMBL2106002. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDHKCEOBMPNVDR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106002



ACToR 10572-34-6
EPA CompTox Dashboard DTXSID50864290
FDA SRS GYU56H6EBV
Nikkaji J10.455H
PubChem 71673
PubChem: Thomson Pharma 15470618
SureChEMBL SCHEMBL2107424
ZINC ZINC000000001143

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