MRT67307

Ligand id: 8062

Name: MRT67307

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 91.41
Molecular weight 464.29
XLogP 3.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
Synonyms
MRT-67307
Database Links
CAS Registry No. 1190378-57-4
PubChem CID 44464263
RCSB PDB Ligand 1FV
Search Google for chemical match using the InChIKey UKBGBACORPRCGG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UKBGBACORPRCGG
Search UniChem for chemical match using the InChIKey UKBGBACORPRCGG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UKBGBACORPRCGG
SynPHARM 81113 (in complex with TANK binding kinase 1)
Comments
MRT67307 is a non-selective inhibitor of TANK-binding kinase 1 (TBK1) [1] with utility for the study of the roles played by IKKs and IKK-related kinases in the regulation of the type I interferon response in innate immunity.