MI-3

Ligand id: 8103

Name: MI-3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 98.16
Molecular weight 375.16
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
Database Links
CAS Registry No. 1271738-59-0
PubChem CID 51001299
Search Google for chemical match using the InChIKey FUGQNAUKABUDQI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FUGQNAUKABUDQI
Search UniChem for chemical match using the InChIKey FUGQNAUKABUDQI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FUGQNAUKABUDQI
Comments
MI-3 inhibits the interaction between MLL oncoproteins (re-arranged lysine (K)-specific methyltransferases) and the tumour suppressor protein menin (MEN1, O00255) [1]. MI-3 represents a novel molecular mechanism with potential application in the treatment of aggressive leukemias with MLL rearrangements.