AZ191   Click here for help

GtoPdb Ligand ID: 9268

Synonyms: AZ-191 | Compound 19 [PMID25738750]
PDB Ligand
Compound class: Synthetic organic
Comment: AZ191 is a potent and selective small molecule inhibitor of DYRK1B from AstraZeneca [2]. Results of a 2014 study [1] using AZ191 indicate DYRK1B is a novel Thr(286)-CCND1(cyclinD1) kinase that acts independently of GSK3β to regulate the mammalian G1-S-phase transition. This compound is included in the Probe Portal as SGC AZ191. It was tested in preclinical studies.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.34
Molecular weight 429.23
XLogP 2.71
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C
Isomeric SMILES COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C
InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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Molecular structure representations generated using Open Babel