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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507974
CHEMBL507974
Compound Name TETRODOTOXIN
ChEMBL Synonyms Tetrodotoxin | tettrodotoxin
Max Phase 0
Trade Names
Molecular Formula C11H17N3O8

Additional synonyms for CHEMBL507974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1 ...
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Standard InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2, ...
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Standard InChI Key CFMYXEVWODSLAX-QOZOJKKESA-N

Structural Alerts

There are 1 structural alerts for CHEMBL507974. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL507974

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
319.3 319.1016 -4 1 190.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 12.88 .67 -1.02 0 22 0.24

Compound Cross References

ChemSpider ChemSpider:CFMYXEVWODSLAX-QOZOJKKESA-N
Wikipedia Tetrodotoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507974



BindingDB 50344821
FDA SRS 3KUM2721U9
Nikkaji J76.209A
PubChem 11174599
PubChem: Thomson Pharma 16254727
SureChEMBL SCHEMBL6406675

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