mubritinib   Click here for help

GtoPdb Ligand ID: 6011

Synonyms: TAK 165 | TAK-165 | TAK165
Compound class: Synthetic organic
Comment: Mubritinib is a reversible inhibitor of EGFR and HER2. This compound is a Phase I clinical candidate.
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 3
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 65.97
Molecular weight 468.18
XLogP 5.37
No. Lipinski's rules broken 2
Click here for help
Canonical SMILES FC(c1ccc(cc1)C=Cc1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F
Isomeric SMILES FC(c1ccc(cc1)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F
InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
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
8446 mubritinib
Synonyms Click here for help
TAK 165 | TAK-165 | TAK165
Database Links Click here for help
CAS Registry No. 366017-09-6
ChEMBL Ligand CHEMBL1614707
GtoPdb PubChem SID 178102633
PubChem CID 6444692
Search Google for chemical match using the InChIKey ZTFBIUXIQYRUNT-MDWZMJQESA-N
Search Google for chemicals with the same backbone ZTFBIUXIQYRUNT
Search PubMed clinical trials mubritinib
Search PubMed titles mubritinib
Search PubMed titles/abstracts mubritinib
UniChem Compound Search for chemical match using the InChIKey ZTFBIUXIQYRUNT-MDWZMJQESA-N
UniChem Connectivity Search for chemical match using the InChIKey ZTFBIUXIQYRUNT-MDWZMJQESA-N
Wikipedia Mubritinib

Product suppliers

View disclaimer

TAK 165 (links to external site)
Cat. No. 3599