umbralisib

Ligand id: 8916

Name: umbralisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 109.06
Molecular weight 571.18
XLogP 8.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one
International Nonproprietary Names
INN number INN
10350 umbralisib
Synonyms
example A1 [US2014011819] | RP-5264 | RP5264 | TGR-1202 | TGR1202
Comments
Umbralisib (TGR-1202; RP5264,) is an orally available, selective inhibitor of the δ isoform of phosphoinositide 3-kinase (PI3K) [1,3,5], that is being developed by TG Therapeutics for the treatment of several B cell malignancies. It also inhibits casein kinase-1ε [2]. For clinical application umbralisib is formulated as the tosylate salt.
Database Links
CAS Registry No. 1532533-67-7 (source: PubChem)
ChEMBL Ligand CHEMBL3948730
GtoPdb PubChem SID 310264697
PubChem CID 72950888
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