JP1302   

GtoPdb Ligand ID: 3930

Synonyms: JP-1302 | MMV006172
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 31.4
Molecular weight 368.2
XLogP 4.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
Isomeric SMILES CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChI Key QZKGUNQLVFEEBA-UHFFFAOYSA-N
References
1. Sallinen J, Höglund I, Engström M, Lehtimäki J, Virtanen R, Sirviö J, Wurster S, Savola JM, Haapalinna A. (2007)
Pharmacological characterization and CNS effects of a novel highly selective alpha2C-adrenoceptor antagonist JP-1302.
Br. J. Pharmacol., 150 (4): 391-402. [PMID:17220913]