MECAMYLAMINE

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Synonyms
Status
Molecule Category Free-form
ATC C02BB01
UNII 6EE945D3OK
EPA CompTox DTXSID0023240

Structure

InChI Key IMYZQPCYWPFTAG-UHFFFAOYSA-N
Smiles CNC1(C)C2CCC(C2)C1(C)C
InChI
InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N
Molecular Weight 167.3
AlogP 2.42
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
200 100-700 - - 0-91.8
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
200 100-700 - - 88.3-91.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 280-700 - - 88.3-91.8
Rattus norvegicus
200 300 - - -
Torpedo nobiliana
- 596 - - 0

Cross References

Resources Reference
ChEBI 6706
ChEMBL CHEMBL267936
DrugBank DB00657
DrugCentral 1646
FDA SRS 6EE945D3OK
Human Metabolome Database HMDB0014795
Guide to Pharmacology 3990
KEGG C07511
PharmGKB PA450334
SureChEMBL SCHEMBL34252
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