ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1132
CHEMBL1132
Compound Name NORNICOTINE
ChEMBL Synonyms Nornicotine
Max Phase 0
Trade Names
Molecular Formula C9H12N2

Additional synonyms for CHEMBL1132 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CNC(C1)c2cccnc2
Standard InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H ...
Download InChI
Standard InChI Key MYKUKUCHPMASKF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1132

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
148.2 148.1 1.51 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
- 9.09 .68 -1.18 1 11 0.65

Structural Alerts

There are no structural alerts for CHEMBL1132

Compound Cross References

ChemSpider ChemSpider:MYKUKUCHPMASKF-UHFFFAOYSA-N
PubChem SID: 26756721

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1132



ACToR 494-97-3 5746-86-1
BindingDB 50023328
Brenda 10734
eMolecules 530037
Human Metabolome Database HMDB0001126
IBM Patent System 5CE2D382E6FD5B64BFAD992F2D63B05D
KEGG Ligand C06524
LINCS LSM-5009
Mcule MCULE-5742121668
MolPort MolPort-000-006-214
NIH Clinical Collection SAM001247026
Nikkaji J391.269H
NMRShiftDB 10024262
PubChem 412
PubChem: Thomson Pharma 15194685
SureChEMBL SCHEMBL158145

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