T5-8   Click here for help

GtoPdb Ligand ID: 11323

Compound class: Synthetic organic
Comment: T5-8 has been reported as an agonist of the bitter taste receptor TAS2R5 [1]. It has been proposed as a novel bronchodilator that acts via agonism of TAS2R5 expressed in airway smooth muscle cells.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 59.92
Molecular weight 210.04
XLogP 0.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1C(=O)c2cccnc2c2c1cccn2
Isomeric SMILES O=C1C(=O)c2cccnc2c2c1cccn2
InChI InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChI Key KCALAFIVPCAXJI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,10-phenanthroline-5,6-dione
Database Links Click here for help
Specialist databases
GPCRdb Ligand T5-8
Other databases
BindingDB Ligand 22860
ChEMBL Ligand CHEMBL235504
GtoPdb PubChem SID 434321758
PubChem CID 72810
Search Google for chemical match using the InChIKey KCALAFIVPCAXJI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KCALAFIVPCAXJI
UniChem Compound Search for chemical match using the InChIKey KCALAFIVPCAXJI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KCALAFIVPCAXJI-UHFFFAOYSA-N