taselisib   Click here for help

GtoPdb Ligand ID: 7794

Synonyms: GDC-0032 | GDC0032
PDB Ligand
Compound class: Synthetic organic
Comment: Taselisib is a potent and orally bioavailable kinase inhibitor which inhibits the PI3Kα, γ and δ isoforms but not the β isoform. It is compound 11l in [3].
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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 118.67
Molecular weight 460.23
XLogP 4.24
No. Lipinski's rules broken 0
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Canonical SMILES Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C
Isomeric SMILES Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C
InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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Molecular structure representations generated using Open Babel