GLPG0187
(2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
Molecular Identity
GLPG0187
(2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID: 53340771
2D Structure
Properties
C29H37N7O5S
Molecular Formula
595.70
Molecular Weight
g/mol
595.2577
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
167
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
983
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
GLPG01871320346-97-1GLPG-018743A5P87Z4TL-Alanine, 3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-piperidinyl)-4-pyrimidinyl)amino)-N-((4-methoxyphenyl)sulfonyl)RefChem:143517INTEGRIN RECEPTOR ANTAGONIST GLPG0187(2S)-3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl)pyrimidin-4-yl)amino)-2-(4-methoxybenzenesulfonamido)propanoic acid(2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid(S)-3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl)pyrimidin-4-yl)amino)-2-(4-methoxyphenylsulfonamido)propanoic acid(S)-3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl)pyrimidin-4-yl)amino)-2-((4-methoxyphenyl)sulfonamido)propanoic acid.UNII-43A5P87Z4Torb1303014SCHEMBL2372722CHEMBL3319236
Data from PubChem (NCBI)
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