Eltanexor
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
Molecular Identity
Eltanexor
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
PubChem CID: 86345880
Eltanexor is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1E)-3-amino-3-oxo-2-(pyrimidin-5-yl)prop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is a second-generation exportin 1 inhibitor that is currently in phase II clinical trial for the treatment of patients with higher relapsed/refractory myelodysplastic neoplasms. It has a role as an exportin 1 inhibitor, an antineoplastic agent and an apoptosis inducer. It is a primary carboxamide, a member of triazoles, a member of pyrimidines, an enamide and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C17H10F6N6O
Molecular Formula
428.29
Molecular Weight
g/mol
428.0820
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
99.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
626
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Eltanexor1642300-52-4KPT-8602(E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamideeltanexorumQ59IQJ9NTK(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamideATG-016(2E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)prop-2-enamide(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)prop-2-enamide(E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-triazol-1-yl)-2-pyrimidin-5-ylprop-2-enamide5-Pyrimidineacetamide, alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methylene)-, (alphaE)-RefChem:920905ATG016ATG 016
Data from PubChem (NCBI)
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