MPI-0485520

Ligand id: 9580

Name: MPI-0485520

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 93.94
Molecular weight 396.17
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
MPC-9528 | MPI-485520
Database Links
BindingDB Ligand 148080
ChEMBL Ligand CHEMBL3650697
PubChem CID 56646218
Search Google for chemical match using the InChIKey DHPSFJYFPJRCTN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DHPSFJYFPJRCTN
Search UniChem for chemical match using the InChIKey DHPSFJYFPJRCTN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DHPSFJYFPJRCTN
Comments
MPI-0485520 (MPC-9528) is a potent and highly selective small molecule inhibitor TBK1/ and IKKε. It is one of 80 structures claimed in Domainex's patent WO2012010826, where it is referred to as DMX-14 [1].