compound 17 [PMID: 23642479]

Ligand id: 8161

Name: compound 17 [PMID: 23642479]

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 4.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-2-amine
Database Links
ChEMBL Ligand CHEMBL2392364
GtoPdb PubChem SID 249565841
PubChem CID 46926513
Search Google for chemical match using the InChIKey FFJGYBJUQCZAAY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FFJGYBJUQCZAAY
Search UniChem for chemical match using the InChIKey FFJGYBJUQCZAAY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FFJGYBJUQCZAAY
Comments
Compound 17 is one analogue of a medicinal chemistry set designed to identify novel small-molecule inhibitors of the cdc2-like (CLK) and dual specificity tyrosine phosphorylation-regulated (DYRK) kinases [1]. This set of analogues also includes ML315.