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
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.
Database Links
BindingDB Ligand 50435474
ChEMBL Ligand CHEMBL1885748
GtoPdb PubChem SID 249565842
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