Emvistegrast
ethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
Molecular Identity
Emvistegrast
ethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
PubChem CID: 146614402
2D Structure
Properties
C35H32F4N6O6
Molecular Formula
708.70
Molecular Weight
g/mol
708.2319
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
1290
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(CC1=C2C=CC=NC2=C(C=C1)N3C(=O)C4=C(C=NC=C4)N(C3=O)C)NC(=O)C5=C(C=C(C=C5C)N6CCOCC6C(F)(F)F)FIsomeric SMILES
SMILES: CCOC(=O)[C@H](CC1=C2C=CC=NC2=C(C=C1)N3C(=O)C4=C(C=NC=C4)N(C3=O)C)NC(=O)C5=C(C=C(C=C5C)N6CCOC[C@@H]6C(F)(F)F)FSynonyms(20)
Emvistegrast2417307-56-1GS-1427ethyl (S)-2-(2-fluoro-6-methyl-4-((R)-3-(trifluoromethyl)morpholino)benzamido)-3-(8-(1-methyl-2,4-dioxo-1,4-dihydropyrido[3,4-d]pyrimidin-3(2H)-yl)quinolin-5-yl)propanoateethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoateemvistegrast [INN]HJ7JZ7YH2Dorb3134918SCHEMBL22016271SCHEMBL29578287GTPL14189YQF2556UQXAGOKYXPMBEP-LBNVMWSVSA-NEX-A13637EX-A13987
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Emvistegrast
Loading drug network...