compound 68 [PMID: 24900699]

Ligand id: 8165

Name: compound 68 [PMID: 24900699]

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 430.99
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Database Links
BindingDB Ligand 50434356
ChEMBL Ligand CHEMBL2386744
PubChem CID 71529752
Search Google for chemical match using the InChIKey ZBELDPMWYXDLNY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZBELDPMWYXDLNY
Search UniChem for chemical match using the InChIKey ZBELDPMWYXDLNY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZBELDPMWYXDLNY
Comments
Compound 68 is a small molecule reported as a novel, potent inhibitor of the dual-specificity tyrosine-phosphorylation regulated kinases 1A and 1B [4].