OTSSP167

Ligand id: 8046

Name: OTSSP167

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 74.33
Molecular weight 486.16
XLogP 3.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one
Synonyms
AMX10201 | OTSSP-167
Database Links
CAS Registry No. 1431697-89-0
PubChem CID 71543332
Search Google for chemical match using the InChIKey WZJUACDPTWDYSI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WZJUACDPTWDYSI
Search UniChem for chemical match using the InChIKey WZJUACDPTWDYSI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WZJUACDPTWDYSI
Comments
OTSSP167 is an orally available inhibitor of the protein kinase, maternal embryonic leucine zipper kinase (MELK) [1]. This inhibitor has multiple off-targets.