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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16117
CHEMBL16117
Compound Name PHILANTHOTOXIN 343
ChEMBL Synonyms Philanthotoxin-343
Max Phase 0
Trade Names
Molecular Formula C23H41N5O3

Additional synonyms for CHEMBL16117 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Standard InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9 ...
Download InChI
Standard InChI Key DTWANULJDRVTFI-NRFANRHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16117

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
435.6 435.3209 1.03 18 128.51 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 8 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.83 10.58 .66 -4.2 1 31 0.19

Structural Alerts

There are 4 structural alerts for CHEMBL16117. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DTWANULJDRVTFI-NRFANRHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16117



ACToR 115976-93-7
BindingDB 50094298
ChEBI 34920
IBM Patent System 8256E835CD2235BCA391C7EFC871A078
KEGG Ligand C13806
Nikkaji J376.680B
PubChem 159548
PubChem: Thomson Pharma 14807820
SureChEMBL SCHEMBL8391460

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