compound 27f [PMID: 25625617]

Ligand id: 9238

Name: compound 27f [PMID: 25625617]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 92.58
Molecular weight 516.25
XLogP 4.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
BindingDB Ligand 50072911
ChEMBL Ligand CHEMBL3410084
PubChem CID 66603863
Search Google for chemical match using the InChIKey LVBWRNKEBGYENR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LVBWRNKEBGYENR
Search UniChem for chemical match using the InChIKey LVBWRNKEBGYENR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LVBWRNKEBGYENR
Comments
Compound 27f is an orally active, potent and selective chemical probe inhibitor of TTK protein kinase (a.k.a. MPS1) [1].