AZD8055   Click here for help

GtoPdb Ligand ID: 7714

Synonyms: AZD 8055 | AZD-8055
Compound class: Synthetic organic
Comment: AZD8055 is an inhibitor of the mammalian target of rapamycin (mTOR) kinase [1]. AZD8055 was investigated as a potential treatment for various types of relapsed and/or refactory cancer. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 93.07
Molecular weight 465.24
XLogP 3.41
No. Lipinski's rules broken 0
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Canonical SMILES OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C
Isomeric SMILES OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
InChI InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/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 8055 | AZD-8055
Database Links Click here for help
CAS Registry No. 1009298-09-2
ChEMBL Ligand CHEMBL1801204
GtoPdb PubChem SID 223366047
PubChem CID 25262965
Search Google for chemical match using the InChIKey KVLFRAWTRWDEDF-IRXDYDNUSA-N
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UniChem Connectivity Search for chemical match using the InChIKey KVLFRAWTRWDEDF-IRXDYDNUSA-N