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
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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+
InChI Key JFBAVWVBLRIWHM-AWNIVKPZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
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
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