PILOCARPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N07AX01 S01EB01
UNII 01MI4Q9DI3
EPA CompTox DTXSID1021162

Structure

InChI Key QCHFTSOMWOSFHM-WPRPVWTQSA-N
Smiles CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChI
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O2
Molecular Weight 208.26
AlogP 1.16
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 44.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 agonist AGONIST PubMed
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
17.5-831.76 68-960 - 82.9 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 17
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
17.5-831.76 - - - 17

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 8207
ChEMBL CHEMBL550
DrugBank DB01085
DrugCentral 2166
FDA SRS 01MI4Q9DI3
Human Metabolome Database HMDB0015217
Guide to Pharmacology 305
KEGG C07474
PDB 9PL
PharmGKB PA450962
PubChem 5910
SureChEMBL SCHEMBL15146
ZINC ZINC000000075008
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