OXYBUTYNIN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G04BD04
UNII K9P6MC7092
EPA CompTox DTXSID0023406

Structure

InChI Key XIQVNETUBQGFHX-UHFFFAOYSA-N
Smiles CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31NO3
Molecular Weight 357.49
AlogP 3.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST ISBN PubMed PubMed PubMed 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
- - 39.81-79.43 0.78-16 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 75.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 39.81-79.43 - -
Homo sapiens
- - - 0.78-16 75.7
Rattus norvegicus
- - - 0.95-14 -

Target Conservation

Protein: Muscarinic acetylcholine receptor M2
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Related Entries

Cross References

Resources Reference
ChEBI 7856
ChEMBL CHEMBL1231
DrugBank DB01062
DrugCentral 2028
FDA SRS K9P6MC7092
Human Metabolome Database HMDB0015195
Guide to Pharmacology 359
KEGG C07360
PharmGKB PA164746030
PubChem 4634
SureChEMBL SCHEMBL2992
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