ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL280963
CHEMBL280963
Compound Name DL-ANABASINE
ChEMBL Synonyms 1,2,3,4,5,6-Hexahydro-[2,3']Bipyridinyl
Max Phase 0
Trade Names
Molecular Formula C10H14N2

Additional synonyms for CHEMBL280963 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC(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-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL280963

Alternate Forms of Compound in ChEMBL


CHEMBL280963

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 1.16 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 0.67

Compound Cross References

ChemSpider ChemSpider:MTXSIJUGVMTTMU-UHFFFAOYSA-N
PubChem SID: 26665185 SID: 26756722
Wikipedia Anabasine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL280963



ACToR 13078-04-1
BindingDB 50026461
ChEBI 28986
eMolecules 494679 25717831
Human Metabolome Database HMDB04350
IBM Patent System C7B4370B6EF2ACAAE2B741976620BFD9
KEGG Ligand C06180
LINCS LSM-4371
Mcule MCULE-3752998129
MolPort MolPort-000-145-770
Nikkaji J849.758C
NMRShiftDB 10024561
PubChem 2181
PubChem: Thomson Pharma 15091234
SureChEMBL SCHEMBL117530

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