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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL947
CHEMBL947
Compound Name CESAMET
ChEMBL Synonyms Nabilone
Max Phase 0
Trade Names
Molecular Formula C24H36O3

Additional synonyms for CHEMBL947 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Standard InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15- ...
Download InChI
Standard InChI Key GECBBEABIDMGGL-RTBURBONSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL947

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
372.6 372.2664 6.26 6 46.53 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.67 - 7.25 7.25 1 27 0.6

Structural Alerts

There are 4 structural alerts for CHEMBL947. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GECBBEABIDMGGL-RTBURBONSA-N
Wikipedia Nabilone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL947



ACToR 51022-71-0
BindingDB 50287941
DrugBank DB00486
eMolecules 31228642
EPA CompTox Dashboard DTXSID8023341
Human Metabolome Database HMDB0014629
IBM Patent System 668427C4BA1B3F6AA1F8EE297E84E8D0
Nikkaji J335.978F
PharmGKB PA164746998
PubChem 5284592
PubChem: Drugs of the Future 12013429
PubChem: Thomson Pharma 14779681 14926632
SureChEMBL SCHEMBL33339
ZINC ZINC000001542930

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