adrixetinib   Click here for help

GtoPdb Ligand ID: 12375

Synonyms: example 7 [US2021163448A1]
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN adrixetinib. It is one of the structures that are claimed in QURIENT Co.'s patent US2021163448A1 [1]. The patent claims the compounds as inhibitors of receptor tyrosine kinases, including AXL, MER and CSF1R, for immunomodulatory and/or antineoplastic potential.
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 5
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 109.62
Molecular weight 531.17
XLogP 4.55
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCn1nc(c(c1)OCC(F)(F)F)C(=O)Nc1ccc(cn1)Oc1ccnc2c1cc(OC)c(c2)OC
Isomeric SMILES COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1nn(cc1OCC(F)(F)F)CCC
InChI InChI=1S/C25H24F3N5O5/c1-4-9-33-13-21(37-14-25(26,27)28)23(32-33)24(34)31-22-6-5-15(12-30-22)38-18-7-8-29-17-11-20(36-3)19(35-2)10-16(17)18/h5-8,10-13H,4,9,14H2,1-3H3,(H,30,31,34)
InChI Key BWUUJXXFCSYLFW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide
International Nonproprietary Names Click here for help
INN number INN
12431 adrixetinib
Synonyms Click here for help
example 7 [US2021163448A1]
Database Links Click here for help
GtoPdb PubChem SID 479821166
PubChem CID 156440741
Search Google for chemical match using the InChIKey BWUUJXXFCSYLFW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BWUUJXXFCSYLFW
Search PubMed clinical trials adrixetinib
Search PubMed titles adrixetinib
Search PubMed titles/abstracts adrixetinib
UniChem Compound Search for chemical match using the InChIKey BWUUJXXFCSYLFW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BWUUJXXFCSYLFW-UHFFFAOYSA-N