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LY2090314

LY2090314 structure

CAS No:
603288-22-8
Formula:
C28H25FN6O3
Chemical Name:
LY2090314
Synonyms:
LY2090314;7-(2,5-Dihydro-4-imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-1H-pyrrol-3-yl)-9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)pyrrolo[3,2,1-jk][1,4]benzodiazepine;3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione;7-(2,5-Dihydro-4-imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-1H-pyrrol-3-yl)-9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)pyrrolo[3,2,1-jk][1,4]benzodiazepineLY2090314
Categories:
Biochemical Engineering > Inhibitors

Description

LY-2090314 is a member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. It has a role as an apoptosis inducer, an antineoplastic agent, a Wnt signalling activator and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is an imidazopyridine, a diazepinoindole, a member of monofluorobenzenes, a piperidinecarboxamide, a member of ureas and a member of maleimides.|Ly2090314 has been used in trials studying the treatment of Leukemia, Advanced Cancer, and Pancreatic Cancer.

LY2090314 Basic Attributes

Molecular Weight：

512.5349032

Exact Mass：

512.197

UNII：

822M3GYM67

DSSTox ID：

DTXSID90209085

Characteristics

PSA：

XLogP3：

2.5

Density：

1.55±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

3-(9-fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro(1,4)diazepino(6,7,1-hi)indol-7-yl)-4-imidazo(1,2-a)pyridin-3-yl-1H-pyrrole-2,5-dione

Computed Properties

Molecular Weight:512.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:512.19721684
Monoisotopic Mass:512.19721684
Topological Polar Surface Area:92
Heavy Atom Count:38
Complexity:1030
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes