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
Comments
Compound 27f is an orally active, potent and selective chemical probe inhibitor of TTK protein kinase (a.k.a. MPS1) [1].
Database Links
BindingDB Ligand 50072911
ChEMBL Ligand CHEMBL3410084
GtoPdb PubChem SID 315661313
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