compound 13b [PMID: 19101153]

Ligand id: 8808

Name: compound 13b [PMID: 19101153]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.79
Molecular weight 370.07
XLogP 2.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,4R)-4-(6-chloro-3-oxo-1,2-benzoxazol-2-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Database Links
ChEMBL Ligand CHEMBL473744
PubChem CID 42609940
Search Google for chemical match using the InChIKey LSWVRWFSRJQEKB-SJORKVTESA-N
Search Google for chemicals with the same backbone LSWVRWFSRJQEKB
Search UniChem for chemical match using the InChIKey LSWVRWFSRJQEKB-SJORKVTESA-N
Search UniChem for chemicals with the same backbone LSWVRWFSRJQEKB
Comments
Compound 13b is one of a series of experimantal compounds tested as KATP channel openers [1], with the aim of discovering leads structures which could be developed in to drugs to treat urge urinary incontinence (overactive bladder). Functional KATP channels in the smooth muscle of the bladder are complexes of the sulfonylurea receptor 2 (SUR2; ABCC9) and the inwardly rectifying potassium channel subunit (Kir6.2; KCNJ11).