taselisib

Ligand id: 7794

Name: taselisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 118.67
Molecular weight 460.23
XLogP 1.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide
International Nonproprietary Names
INN number INN
9815 taselisib
Synonyms
GDC-0032 | GDC0032
Database Links
CAS Registry No. 1282512-48-4
ChEMBL Ligand CHEMBL2387080
PubChem CID 51001932
RCSB PDB Ligand 799
Search Google for chemical match using the InChIKey BEUQXVWXFDOSAQ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey BEUQXVWXFDOSAQ-UHFFFAOYSA-N
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Comments
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].