WYE-354

Ligand id: 9361

Name: WYE-354

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 123.94
Molecular weight 495.22
XLogP 1.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Synonyms
WYE354
Database Links
BindingDB Ligand 35587
CAS Registry No. 1062169-56-5 (source: PubChem)
ChEMBL Ligand CHEMBL561708
PubChem CID 44219749
Search Google for chemical match using the InChIKey IMXHGCRIEAKIBU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IMXHGCRIEAKIBU
Search UniChem for chemical match using the InChIKey IMXHGCRIEAKIBU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IMXHGCRIEAKIBU
Comments
WYE-354 is a pyrazolopyrimidine ATP-competitive mTOR inhibitor tool compound [1].