eltanexor   Click here for help

GtoPdb Ligand ID: 10037

Synonyms: KPT-8602 | KPT8602
Compound class: Synthetic organic
Comment: Eltanexor (KPT-8602) is a second-generation, orally bioavailable, selective inhibitor of the nuclear export protein XPO1, that works in the same way as its first-in-class relation selinexor. In comparison to selinexor, eltanexor exhibits much lower brain penetration, and this appears to reduce the central nervous system-mediated side effects of anorexia and weight loss detected with selinexor therapy [1]. Eltanexor is being investigated for therapeutic antineoplastic potential [1-3].
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 99.58
Molecular weight 428.08
XLogP 2.52
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES NC(=O)C(=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cncnc1
Isomeric SMILES NC(=O)/C(=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1cncnc1
InChI InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+
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
10496 eltanexor
Synonyms Click here for help
KPT-8602 | KPT8602
Database Links Click here for help
CAS Registry No. 1642300-52-4 (source: WHO INN record)
GtoPdb PubChem SID 375973225
PubChem CID 86345880
Search Google for chemical match using the InChIKey JFBAVWVBLRIWHM-AWNIVKPZSA-N
Search Google for chemicals with the same backbone JFBAVWVBLRIWHM
Search PubMed clinical trials eltanexor
Search PubMed titles eltanexor
Search PubMed titles/abstracts eltanexor
UniChem Compound Search for chemical match using the InChIKey JFBAVWVBLRIWHM-AWNIVKPZSA-N
UniChem Connectivity Search for chemical match using the InChIKey JFBAVWVBLRIWHM-AWNIVKPZSA-N