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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9815 taselisib
Synonyms Click here for help
GDC-0032 | GDC0032
Database Links Click here for help
CAS Registry No. 1282512-48-4
ChEMBL Ligand CHEMBL2387080
GtoPdb PubChem SID 223366125
PubChem CID 51001932
RCSB PDB Ligand 799
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