sapitinib   Click here for help

GtoPdb Ligand ID: 7717

Synonyms: AZD-8931 | AZD8931
Compound class: Synthetic organic
Comment: Sapitinib is an inhibitor of all members of the epidermal growth factor receptor (EGFR) receptor tyrosine kinase family [1] and was investigated as a potential oncology therapeutic. 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 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 88.61
Molecular weight 473.16
XLogP 2.94
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl
Isomeric SMILES CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl
InChI InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9528 sapitinib
Synonyms Click here for help
AZD-8931 | AZD8931
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9649894
Reactome Reaction Reactome logo R-HSA-9652264, R-HSA-9665121, R-HSA-9665304
Other databases
CAS Registry No. 848942-61-0
ChEMBL Ligand CHEMBL2408045
GtoPdb PubChem SID 223366050
PubChem CID 11488320
Search Google for chemical match using the InChIKey DFJSJLGUIXFDJP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DFJSJLGUIXFDJP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DFJSJLGUIXFDJP-UHFFFAOYSA-N