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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL225411
CHEMBL225411
Compound Name GW842166X
ChEMBL Synonyms GW842166 | GW842166X | GW-842166 | GW-842166X
Max Phase 2
Trade Names
Molecular Formula C18H17Cl2F3N4O2

Additional synonyms for CHEMBL225411 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC3CCOCC3
Standard InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9 ...
Download InChI
Standard InChI Key TWQYWUXBZHPIIV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL225411

Molecule Features

CHEMBL225411 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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cannabinoid CB2 receptor agonist Cannabinoid CB2 receptor PubMed

Clinical Data

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

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 CHEMBL225411. 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
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 0.999

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 1.000
CHEMBL4977 Proto-oncogene c-JUN Homo sapiens 0.598
CHEMBL1800 Corticotropin releasing factor receptor 1 Homo sapiens 0.486
CHEMBL5314 Tyrosine-protein kinase receptor TYRO3 Homo sapiens 0.366
CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens 0.223

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
449.3 448.0681 4.45 6 76.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.37 - 2.56 2.56 2 29 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL225411. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TWQYWUXBZHPIIV-UHFFFAOYSA-N
PubChem SID: 174007169
Wikipedia GW-842,166X

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL225411



BindingDB 50211843
eMolecules 25041239
EPA CompTox Dashboard DTXSID60216786
FDA SRS VL1I6P2DZ8
IBM Patent System 3473CBA1E280C619212C7155C5FEBD21
MolPort MolPort-009-019-316
PubChem 10253143
PubChem: Thomson Pharma 15256486
Selleck gw-842166x
SureChEMBL SCHEMBL3015040
ZINC ZINC03947932

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