compound 1o [PMID: 24210504]

Ligand id: 8143

Name: compound 1o [PMID: 24210504]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 98.03
Molecular weight 429.23
XLogP 1.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
Database Links
BindingDB Ligand 50444090
ChEMBL Ligand CHEMBL3093151
PubChem CID 44256277
Search Google for chemical match using the InChIKey MWVKLRSIDOXBSE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MWVKLRSIDOXBSE
Search UniChem for chemical match using the InChIKey MWVKLRSIDOXBSE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MWVKLRSIDOXBSE
Comments
Compound 1o was designed and tested in a study to identify selective inhibitors of G protein-coupled receptor kinases, GRK2 and GRK5 [1].