ZSTK474

Ligand id: 7965

Name: ZSTK474

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 81.43
Molecular weight 417.17
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]benzimidazole
Synonyms
TCMDC-137004 | ZSTK 474 | ZSTK-474
Database Links
CAS Registry No. 475110-96-4
ChEMBL Ligand CHEMBL586702
PubChem CID 11647372
RCSB PDB Ligand ZS4
Search Google for chemical match using the InChIKey HGVNLRPZOWWDKD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HGVNLRPZOWWDKD
Search UniChem for chemical match using the InChIKey HGVNLRPZOWWDKD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HGVNLRPZOWWDKD
Comments
ZSTK474 is a novel orally bioavailable inhibitor of phosphoinositide 3-kinase (PI3K) that strongly inhibits cancer cell proliferation [1,3].