PIRENZEPINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A02BX03
UNII 3G0285N20N
EPA CompTox DTXSID7023487

Structure

InChI Key RMHMFHUVIITRHF-UHFFFAOYSA-N
Smiles CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChI
InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N5O2
Molecular Weight 351.41
AlogP 1.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 68.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST 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
- 1.148-968.2 20 2.818-794.33 38-96.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 3.6 -
Cavia porcellus
- - 131.83-338.84 14-530 -
Drosophila melanogaster
- - - 390-430 -
Homo sapiens
- 1.148-48.98 20 2.818-524 96.7
Oryctolagus cuniculus
- - 8.913 - -
Rattus norvegicus
- 170-900 - 5.2-794.33 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 8247
ChEMBL CHEMBL9967
DrugBank DB00670
DrugCentral 2200
FDA SRS 3G0285N20N
Human Metabolome Database HMDB0014808
Guide to Pharmacology 328
KEGG C07508
PharmGKB PA10159
PubChem 4848
SureChEMBL SCHEMBL41705
ZINC ZINC000019632927
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