compound 8b [PMID: 22408719]

Ligand id: 9113

Name: compound 8b [PMID: 22408719]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 116.2
Molecular weight 539.19
XLogP 6.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methylsulfanyl]phenyl]acetamide
Database Links
ChEMBL Ligand CHEMBL1715624
GtoPdb PubChem SID 315661198
PubChem CID 49789112
Search Google for chemical match using the InChIKey DWYMDWVNEIIEHC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DWYMDWVNEIIEHC
Search UniChem for chemical match using the InChIKey DWYMDWVNEIIEHC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DWYMDWVNEIIEHC
Comments
Compound 8b is an agonist of the thyroid stimulating hormone receptor (TSHR) [1].