pirenzepine   Click here for help

GtoPdb Ligand ID: 328

Approved drug
pirenzepine is an approved drug
Compound class: Synthetic organic
Comment: Pirenzepine muscarinic acetylcholine receptor antagonist, selective for the M1 receptor subtype.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 74.23
Molecular weight 351.17
XLogP 1.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
Isomeric SMILES CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
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)
InChI Key RMHMFHUVIITRHF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
International Nonproprietary Names Click here for help
INN number INN
3476 pirenzepine
Database Links Click here for help
BindingDB Ligand 50005675
BitterDB Ligand 676
CAS Registry No. 28797-61-7 (source: Scifinder)
ChEMBL Ligand CHEMBL9967
DrugCentral Ligand 2200
GtoPdb PubChem SID 135650832
PubChem CID 4848
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Wikipedia Pirenzepine