MECAMYLAMINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4956DJR58O
EPA CompTox DTXSID70896795
Parent Compound: MECAMYLAMINE

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22ClN
Molecular Weight 203.76
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

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha3/beta4 negative allosteric modulator NEGATIVE ALLOSTERIC MODULATOR PubMed DailyMed Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.56-106.78
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.56-106.78

Target Conservation

Protein: Neuronal acetylcholine receptor; alpha3/beta4
Description: Neuronal acetylcholine receptor subunit beta-4
Organism : Homo sapiens
P30926 ENSG00000117971
Protein: Neuronal acetylcholine receptor; alpha3/beta4
Description: Neuronal acetylcholine receptor subunit alpha-3
Organism : Homo sapiens
P32297 ENSG00000080644

Cross References

Resources Reference
ChEBI 6707
ChEMBL CHEMBL1237082
FDA SRS 4956DJR58O
Guide to Pharmacology 3990
KEGG C07511
PubChem 13221
SureChEMBL SCHEMBL123951
ZINC ZINC38140873
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