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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25619
CHEMBL25619
Compound Name
ChEMBL Synonyms (+)-Anatoxin
Max Phase 0
Trade Names
Molecular Formula C10H15NO

Additional synonyms for CHEMBL25619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C1=CCCC2CCC1N2
Standard InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11 ...
Download InChI
Standard InChI Key SGNXVBOIDPPRJJ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL25619

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
165.2 165.1154 1.06 1 29.1 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.48 1.54 -.51 0 12 0.63

Structural Alerts

There are 3 structural alerts for CHEMBL25619. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGNXVBOIDPPRJJ-UHFFFAOYSA-N
PubChem SID: 26755737
Wikipedia Anatoxin-a

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25619



ACToR 64285-06-9
BindingDB 50023330
ChEBI 2706
IBM Patent System AD3A6E5AD3724B4D7F5E4A5568A601D4
KEGG Ligand C10841
Nikkaji J1.668.288H
PubChem 431734
PubChem: Thomson Pharma 15066590
SureChEMBL SCHEMBL160708

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