LY-2090314

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 822M3GYM67

Structure
InChI Key HRJWTAWVFDCTGO-UHFFFAOYSA-N
Smile O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
InChI
InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H25FN6O3
Molecular Weight 512.55
AlogP 3.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 91.95
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Glycogen synthase kinase-3 alpha inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 420 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- 6200 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 2800 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 1-1 - - 97
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1-1 - - 97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 2 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Cross References

Resources Reference
ChEBI 167661
ChEMBL CHEMBL362558
DrugBank DB11913
EPA CompTox DTXSID90209085
FDA SRS 822M3GYM67
Guide to Pharmacology 7958
PubChem 10029385
SureChEMBL SCHEMBL633455
ZINC ZINC000003817327
CONTENTS