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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PDK1 subfamily
- - - 3162.28 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 420 - 2511.89 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - 3162.28 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - - 794.33 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - - 1258.93 -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- 6200 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - - 630.96 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - - 1584.89 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - - 3162.28 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - - 501.19 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - - 7943.28 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - - 1258.93 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 2800 - 251.19 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- - - 1258.93 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - - 1000 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - - 1584.89 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 0.7-900 - - 97
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - - 3162.28 -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 0.7-900 - 1000 97
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - - 3981.07 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - - 2511.89 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - - 7943.28 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - 316.23 -
Enzyme Transferase
- - - - 25.05-25.65
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.1-9.56

Indications

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