General Information of Drug (ID: DM7CLEZ)

Drug Name
Eltanexor oral
Synonyms
KPT-8602; Eltanexor; UNII-Q59IQJ9NTK; Q59IQJ9NTK; 1642300-52-4; Eltanexor [INN]; Eltanexor [WHO-DD]; SCHEMBL16324809; MolPort-044-830-659; s8397; AKOS032945053; CS-5947; HY-100423; (E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide; 5-Pyrimidineacetamide, alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methylene)-, (alphaE)-; (2E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)prop-2-enamide
Indication
Disease Entry ICD 11 Status REF
Colorectal cancer 2B91.Z Phase 1/2 [1]
Myelodysplastic syndrome 2A37 Phase 1/2 [1]
Prostate cancer 2C82.0 Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 428.29
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C17H10F6N6O
IUPAC Name
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
Canonical SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C(\\C3=CN=CN=C3)/C(=O)N
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+
InChIKey
JFBAVWVBLRIWHM-AWNIVKPZSA-N
Cross-matching ID
PubChem CID
86345880
CAS Number
1642300-52-4
TTD ID
D0JF6C
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Exportin-1 (XPO1) TTCJUR4 XPO1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)