ML315

Ligand id: 8162

Name: ML315

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 56.27
Molecular weight 373.04
XLogP 3.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine
Database Links
BindingDB Ligand 50435474
ChEMBL Ligand CHEMBL1885748
PubChem CID 46926514
Search Google for chemical match using the InChIKey JQSJAVBMIMDUFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JQSJAVBMIMDUFO
Search UniChem for chemical match using the InChIKey JQSJAVBMIMDUFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JQSJAVBMIMDUFO
Comments
ML315 is a biochemical tool compound identified in the same medicinal chemistry set as compound 17 [PMID: 23642479] [1], where it is compound 35. ML315 has inhibitory activity against the CLK and DYRK kinase families.