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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201896
CHEMBL201896
Compound Name THYRONAMINE
ChEMBL Synonyms Thyronamine
Max Phase 0
Trade Names
Molecular Formula C14H15NO2

Additional synonyms for CHEMBL201896 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccc(Oc2ccc(O)cc2)cc1
Standard InChI InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16 ...
Download InChI
Standard InChI Key OVUVNKDANCKDCK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201896

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
229.3 229.1103 2.58 4 55.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.09 9.99 2.49 .02 2 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL201896

Compound Cross References

ChemSpider ChemSpider:OVUVNKDANCKDCK-UHFFFAOYSA-N
Wikipedia Thyronamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201896



ACToR 500-78-7
BindingDB 50181797
EPA CompTox Dashboard DTXSID60198174
IBM Patent System A416D91E413771F4D84BAAF265D2B9A1
Nikkaji J2.654.703B
PubChem 3083601
PubChem: Thomson Pharma 15415335
SureChEMBL SCHEMBL449823

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