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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55772
CHEMBL55772
Compound Name METHOXYFENOZIDE
ChEMBL Synonyms Methoxyfenozide
Max Phase 0
Trade Names
Molecular Formula C22H28N2O3

Additional synonyms for CHEMBL55772 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
Standard InChI InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4, ...
Download InChI
Standard InChI Key QCAWEPFNJXQPAN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55772

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
368.5 368.21 4.45 5 58.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.43 - 3.72 3.72 2 27 0.79

Structural Alerts

There are 5 structural alerts for CHEMBL55772. To view alerts please click here.

Compound Cross References

IRAC C - GROWTH REGULATION
C18 - ECDYSONE RECEPTOR AGONISTS
C1818A - DIACYLHYDRAZINES
C1818A3 - METHOXYFENOZIDE
ChemSpider ChemSpider:QCAWEPFNJXQPAN-UHFFFAOYSA-N
PubChem SID: 144211417 SID: 26757368

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55772



ACToR 161050-58-4 163442-56-6
BindingDB 50128305
ChEBI 38449
eMolecules 30424549
EPA CompTox Dashboard DTXSID3032628
FDA SRS 62A22651ZX
IBM Patent System E290C61BF69BEFC4EE37852F6DE2FEF8
KEGG Ligand C18525
MolPort MolPort-008-266-409
Nikkaji J981.614C
PubChem 105010
PubChem: Thomson Pharma 14803883
SureChEMBL SCHEMBL27595
ZINC ZINC000002511852

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