METHACHOLINE

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Synonyms
Status
Molecule Category Free-form
ATC V04CX03
UNII 03V657ZD3V
EPA CompTox DTXSID2046967
Parent Compound: METHACHOLINE

Structure

InChI Key NZWOPGCLSHLLPA-UHFFFAOYSA-N
Smiles CC(=O)OC(C)C[N+](C)(C)C
InChI
InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18NO2+
Molecular Weight 160.24
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
120-400 380-700 - 59-59 8-34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 380 - 59 8
Rattus norvegicus
- 380 - 59 8

Cross References

Resources Reference
ChEBI 6804
ChEMBL CHEMBL978
DrugBank DB06709
DrugCentral 1726
FDA SRS 03V657ZD3V
Human Metabolome Database HMDB0015654
Guide to Pharmacology 7438
KEGG C07471
PharmGKB PA165958382
PubChem 1993
SureChEMBL SCHEMBL69103
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