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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39878
CHEMBL39878
Compound Name
ChEMBL Synonyms AM-404
Max Phase 0
Trade Names
Molecular Formula C26H37NO2

Additional synonyms for CHEMBL39878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1
Standard InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-1 ...
Download InChI
Standard InChI Key IJBZOOZRAXHERC-DOFZRALJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL39878

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
395.6 395.2824 7.35 15 49.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.11 1.7 7.92 7.92 1 29 0.19

Structural Alerts

There are 5 structural alerts for CHEMBL39878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IJBZOOZRAXHERC-DOFZRALJSA-N
PubChem SID: 11113927 SID: 26719716 SID: 49681664
Wikipedia AM404

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39878



ACToR 198022-70-7
BindingDB 50054471
Brenda 163498 41245 146078 11623
eMolecules 533999
EPA CompTox Dashboard DTXSID60424985
FDA SRS XVJ94H0U21
LINCS LSM-42909
MolPort MolPort-003-940-109
NIH Clinical Collection SAM001246965
Nikkaji J790.918G
PubChem 6604822
PubChem: Drugs of the Future 26683768
PubChem: Thomson Pharma 14878844
SureChEMBL SCHEMBL157919
ZINC ZINC000003871503

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