compound 72 [WO2013026806]

Ligand id: 8166

Name: compound 72 [WO2013026806]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 112.02
Molecular weight 369.05
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 9-(4-chloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Synonyms
compound 8c [PMID 25264830] [3] | EHT 5372 [1]
Database Links
BindingDB Ligand 50434338
ChEMBL Ligand CHEMBL2386762
PubChem CID 71529770
Search Google for chemical match using the InChIKey BGXZIBSLBRKDTP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BGXZIBSLBRKDTP
Search UniChem for chemical match using the InChIKey BGXZIBSLBRKDTP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BGXZIBSLBRKDTP
Comments
This is compound 72, an invention covered by patent WO2013026806 [5]. Compound 72 is a highly potent dual DYRK1A/1B inhibitor (DYRK = dual-specificity tyrosine-regulated kinase).