guanylpirenzepine   Click here for help

GtoPdb Ligand ID: 3276

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 124.1
Molecular weight 379.18
XLogP 1.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
Isomeric SMILES NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
InChI InChI=1S/C19H21N7O2/c20-19(21)25-10-8-24(9-11-25)12-16(27)26-15-6-2-1-4-13(15)18(28)23-14-5-3-7-22-17(14)26/h1-7H,8-12H2,(H3,20,21)(H,23,28)
InChI Key YGBQWISDDSXPRF-UHFFFAOYSA-N
References
1. Akbulut H, Gören Z, Iskender E, Eraslan A, Ozdemir O, Oktay S. (1999)
Subtypes of muscarinic receptors in rat duodenum: a comparison with rabbit vas deferens, rat atria, guinea-pig ileum and gallbladder by using imperialine.
Gen. Pharmacol., 32 (4): 505-11. [PMID:10323493]
2. Ferrari-Dileo G, Waelbroeck M, Mash DC, Flynn DD. (1994)
Selective labeling and localization of the M4 (m4) muscarinic receptor subtype.
Mol. Pharmacol., 46 (6): 1028-35. [PMID:7808421]
3. Waelbroeck M, De Neef P, Domenach V, Vandermeers-Piret MC, Vandermeers A. (1996)
Binding of the labelled muscarinic toxin 125I-MT1 to rat brain muscarinic M1 receptors.
Eur. J. Pharmacol., 305 (1-3): 187-92. [PMID:8813552]