serabelisib

Ligand id: 8969

Name: serabelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 98.89
Molecular weight 363.13
XLogP 1.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
International Nonproprietary Names
INN number INN
10369 serabelisib
Synonyms
INK 1117 | INK-1117 | INK1117 | MLN 1117 | MLN1117
Database Links
CAS Registry No. 1268454-23-4 (source: SciFinder)
PubChem CID 70798655
Search Google for chemical match using the InChIKey BLGWHBSBBJNKJO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLGWHBSBBJNKJO
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Search UniChem for chemical match using the InChIKey BLGWHBSBBJNKJO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLGWHBSBBJNKJO
Comments
Serabelisib (INK-1117) is a potent and selective orally available phosphatidylinositol-3-kinase (PI3K) inhibitor, being investigated for its potential antineoplastic activity. This is compound 54 in patent US20130035324 [1].