Subasumstat
[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
Molecular Identity
Subasumstat
[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
PubChem CID: 118628567
2D Structure
Properties
C25H28ClN5O5S2
Molecular Formula
578.10
Molecular Weight
g/mol
577.1220
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
193
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
942
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SubasumstatTAK-981Subasumstat [USAN]XQ43H3V6M1UNII-XQ43H3V6M1SUBASUMSTAT [INN]subasumstat (proposed INN)SUBASUMSTAT [WHO-DD][(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamateExample 133 [WO2016004136A1]I-263a [WO2016004136A1][(1R,2S,4R)-4-[(5-[4-[(1R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamateSULFAMIC ACID, ((1R,2S,4R)-4-((5-((4-((1R)-7-CHLORO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-5-METHYL-2-THIENYL)CARBONYL)-4-PYRIMIDINYL)AMINO)-2-HYDROXYCYCLOPENTYL)METHYL ESTERExample 133 (WO2016004136A1)I-263a (WO2016004136A1)
Data from PubChem (NCBI)
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