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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1526229
CHEMBL1526229
Compound Name ANABASINE
ChEMBL Synonyms Anabasine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C10H14N2

Additional synonyms for CHEMBL1526229 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC[C@H](NC1)c2cccnc2
Standard InChI InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,1 ...
Download InChI
Standard InChI Key MTXSIJUGVMTTMU-JTQLQIEISA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1526229

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
162.2 162.1157 1.9 1 24.92 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
- 8.98 1.09 -.56 1 12 0.68

Structural Alerts

There are no structural alerts for CHEMBL1526229

Compound Cross References

ChemSpider ChemSpider:MTXSIJUGVMTTMU-JTQLQIEISA-N
PubChem SID: 11112368 SID: 11114254 SID: 144212269

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1526229



ACToR 494-52-0
BindingDB 109767
Brenda 43767
ChEBI 74
ChemicalBook CB0119964
eMolecules 716396
EPA CompTox Dashboard DTXSID9041607
FDA SRS LMS11II2LO
IBM Patent System 21FF6702A426C93A5CB8C94019AD8503
KEGG Ligand C11357
LINCS LSM-15372
Metabolights MTBLC74
MolPort MolPort-000-139-260
Nikkaji J3.284K
PubChem 205586
PubChem: Thomson Pharma 16202173
SureChEMBL SCHEMBL3465120
ZINC ZINC000000031165

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