Sulanemadlin
3-[(2S,5S,8S,11S,14S,17S,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(2-methylpropyl)-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-24-en-2-yl]propanoic acid
Molecular Identity
Sulanemadlin
3-[(2S,5S,8S,11S,14S,17S,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(2-methylpropyl)-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-24-en-2-yl]propanoic acid
PubChem CID: 164182053
2D Structure
Properties
C95H140N20O23
Molecular Formula
1930.20
Molecular Weight
g/mol
1930.0434
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
674
TPSA
May have limited oral absorption
23
H-Bond Donors
23
H-Bond Acceptors
4220
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SulanemadlinSulanemadlin [INN]1451199-98-66BGF28R54MUNII-6BGF28R54MALRN6924N-Acetyl-L-leucyl-L-threonyl-L-phenylalanyl-cyclo(D-R8-L-glutamyl-ltyrosyl-ltryptophanyl-L-alanyl-L-glutaminyl-L-leucyl-L-S5)-L-alanyl-lalanyl-L-alanyl-L-alanyl-lalanyl-D-alanylamideAlrn 6924RefChem:186456Sulanemadlin [USAN]ALRN-6924CHEMBL5394570MP-4897Sulanemadlin [USAN:INN]WHO 11411
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sulanemadlin
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