MELK-TI

Ligand id: 9366

Name: MELK-TI

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 79.04
Molecular weight 362.17
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
Synonyms
compound 7 [PMID: 25589925]
Database Links
BindingDB Ligand 50043341
ChEMBL Ligand CHEMBL3355059
PubChem CID 73442760
Search Google for chemical match using the InChIKey GMZCYCKIXQZORP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMZCYCKIXQZORP
Search UniChem for chemical match using the InChIKey GMZCYCKIXQZORP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GMZCYCKIXQZORP
Comments
MELK-T1 is a small-molecule tool compound inhibitor of maternal embryonic leucine zipper kinase (MELK) [1], a serine/threonine protein kinase overexpressed in many cancer cells.