Sotrastaurin
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
Molecular Identity
Sotrastaurin
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
PubChem CID: 10296883
Sotrastaurin is a member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. It has a role as an anticoronaviral agent, an immunosuppressive agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of indoles, a member of quinazolines, a N-alkylpiperazine, a N-arylpiperazine and a member of maleimides.
2D Structure
Properties
C25H22N6O2
Molecular Formula
438.50
Molecular Weight
g/mol
438.1804
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
94.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
822
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sotrastaurin425637-18-9AEB0713-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dioneAEB-071sotrastaurinasotrastaurinesotrastaurinum3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione7I279E1NZ8CHEBI:905313-(1h-Indol-3-Yl)-4-[2-(4-Methylpiperazin-1-Yl)quinazolin-4-Yl]-1h-Pyrrole-2,5-Dione3-(1H-indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)pyrrole-2,5-dioneRefChem:9319883-(1H-indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Data from PubChem (NCBI)
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