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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL37736
CHEMBL37736
Compound Name LIRIODENINE
ChEMBL Synonyms Hiriodenine | Liriodenine
Max Phase 0
Trade Names
Molecular Formula C17H9NO3

Additional synonyms for CHEMBL37736 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35
Standard InChI InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15( ...
Download InChI
Standard InChI Key MUMCCPUVOAUBAN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL37736

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
275.3 275.0582 2.88 0 48.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.67 3.21 3.21 3 21 0.63

Structural Alerts

There are 1 structural alerts for CHEMBL37736. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUMCCPUVOAUBAN-UHFFFAOYSA-N
PubChem SID: 128434 SID: 399320

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL37736



ACToR 475-75-2
BindingDB 50202301
ChEBI 70649
eMolecules 735214
EPA CompTox Dashboard DTXSID40197165
FDA SRS E134R7X4O9
IBM Patent System F8DEFF2EB4B27F02AFA7F76DC38BD4BC
KEGG Ligand C09567
Metabolights MTBLC70649
MolPort MolPort-005-981-187
Nikkaji J12.552K
PubChem 10144
PubChem: Thomson Pharma 14947779
SureChEMBL SCHEMBL165803
ZINC ZINC000000006256

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