CARBACHOL

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Trade Names
Synonyms
Status
Molecule Category Mixture
ATC N07AB01 S01EB02
UNII 8Y164V895Y
EPA CompTox DTXSID9022730

Structure

InChI Key VPJXQGSRWJZDOB-UHFFFAOYSA-O
Smiles C[N+](C)(C)CCOC(N)=O
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N2O2+
Molecular Weight 147.2
AlogP -0.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 agonist AGONIST ISBN PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 8 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 210-750 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 210-750 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
4.3-954.99 0.4-880 - 1.3-990 2-99.8
Other cytosolic protein
- - - - 104.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 105.72-120.91
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Apis mellifera
- - - - 8.1
Cavia porcellus
0.11-620 500 - - 100
Cricetulus griseus
- - - - 105.72-120.91
Homo sapiens
22-954.99 50.12-457.09 - 5-750 -
Mus musculus
- 100 - 8-739 17-104.5
Oryctolagus cuniculus
- 460 - - 77
Rattus norvegicus
4.3-510 130-790 - 9-990 5-5

Target Conservation

Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 3385
ChEMBL CHEMBL14
DrugBank DB00411
FDA SRS 8Y164V895Y
Guide to Pharmacology 298
PDB CCE
PubChem 5831
SureChEMBL SCHEMBL2791
ZINC ZINC03079342
ChEMBL CHEMBL965
DrugBank DB00411
DrugCentral 488
FDA SRS 54Z8M50D6Q
Human Metabolome Database HMDB0014555
Guide to Pharmacology 298
PDB CCE
PharmGKB PA448784
PubChem 5831
SureChEMBL SCHEMBL2792
ZINC ZINC000003079342
CONTENTS