Zomiradomide
N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular Identity
Zomiradomide
N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID: 156506667
2D Structure
Properties
C45H48F3N7O6S
Molecular Formula
872.00
Molecular Weight
g/mol
871.3339
Exact Mass
Da
6.7
XLogP
Above Lipinski threshold
202
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1730
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CC2=C(C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)SC(=N2)C4CCC(CC4)CN5CC6(C5)CC(C6)CCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)OIsomeric SMILES
SMILES: CC(C)(C1=CC2=C(C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)SC(=N2)C4CCC(CC4)CN5CC6(C5)CC(C6)CCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)OSynonyms(20)
zomiradomide2655656-99-6IRAK degrader-1N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide2655660-58-3N-[2-[trans-4-[[6-[2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]hept-2-yl]methyl]cyclohexyl]-5-(1-hydroxy-1-methylethyl)-6-benzothiazolyl]-6-(trifluoromethyl)-2-pyridinecarboxamideN-(2-(trans-4-((6-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethyl)-2-azaspiro[3.3]heptan-2-yl)methyl)cyclohexyl)-5-(2-hydroxypropan-2-yl)benzo[d]thiazol-6-yl)-6-(trifluoromethyl)picolinamideZomiradomidaN-[2-[trans-4-[[6-[2-[[2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)benzo[d]thiazol-6-yl]-6-(trifluoromethyl)picolinamidezomiradomide [INN]AQ5UXV5646orb1982288CHEMBL5567890SCHEMBL23539538SCHEMBL23696217
Data from PubChem (NCBI)
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