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]
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.
Database Links
BindingDB Ligand 50043341
ChEMBL Ligand CHEMBL3355059
GtoPdb PubChem SID 328083468
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