TK05

Ligand id: 9556

Name: TK05

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 96.8
Molecular weight 540.15
XLogP 6.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[5-[4-chloro-N-(cyclopropylmethyl)anilino]pyridine-2-carbonyl]-2-(4-methoxybenzoyl)benzoic acid
Database Links
PubChem CID 53385780
Search Google for chemical match using the InChIKey GRDDFJXOEAJYCT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GRDDFJXOEAJYCT
Search UniChem for chemical match using the InChIKey GRDDFJXOEAJYCT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GRDDFJXOEAJYCT
Comments
TK05 is the most potent of three selective leukotriene C4 synthase (LTC4S) inhibitors reported in [1], and is one of the compounds calimed in patent WO2011110824 [3]. LTC4S inhibitors have clinical potential for treating respiratory and/or inflammatory diseases, given LTC4S' pivotal role in the production of pro-inflammatory and bronchoconstricting cysteinyl leukotrienes [2].