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.
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2D Structure
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Physico-chemical Properties
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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
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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)
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
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
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UniChem Compound Search for chemical match using the InChIKey BWUUJXXFCSYLFW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BWUUJXXFCSYLFW-UHFFFAOYSA-N