vistusertib   Click here for help

GtoPdb Ligand ID: 7699

Synonyms: AZD 2014 | AZD-2014 | AZD2014 | cc-551
Compound class: Synthetic organic
Comment: Vistusertib (AZD2014) is a selective inhibitor of Mammalian target of rapamycin (mTOR) serine/ threonine kinase. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 92.71
Molecular weight 462.24
XLogP 3.71
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C
Isomeric SMILES CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD 2014 | AZD-2014 | AZD2014 | cc-551
Database Links Click here for help
CAS Registry No. 1009298-59-2
ChEMBL Ligand CHEMBL2336325
GtoPdb PubChem SID 223366032
PubChem CID 25262792
Search Google for chemical match using the InChIKey JUSFANSTBFGBAF-IRXDYDNUSA-N
Search Google for chemicals with the same backbone JUSFANSTBFGBAF
UniChem Compound Search for chemical match using the InChIKey JUSFANSTBFGBAF-IRXDYDNUSA-N
UniChem Connectivity Search for chemical match using the InChIKey JUSFANSTBFGBAF-IRXDYDNUSA-N