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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1398031
CHEMBL1398031
Compound Name MECAMYLAMINE
ChEMBL Synonyms Mecamylamine
Max Phase 0
Trade Names
Molecular Formula C11H21N

Additional synonyms for CHEMBL1398031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
Standard InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5 ...
Download InChI
Standard InChI Key IMYZQPCYWPFTAG-IQJOONFLSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1398031

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
167.3 167.1674 2.42 1 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.35 2.98 -.07 0 12 0.63

Structural Alerts

There are no structural alerts for CHEMBL1398031

Compound Cross References

ChemSpider ChemSpider:IMYZQPCYWPFTAG-IQJOONFLSA-N
PubChem SID: 11111496
Wikipedia Mecamylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1398031



BindingDB 50369323
IBM Patent System A0AAD5E3D54C9788413273A69C847BDF
PubChem 6603935
SureChEMBL SCHEMBL308575
ZINC ZINC000038140873

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