LY-2584702

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Synonyms
Status
Molecule Category Free-form
UNII I4965C6W4O

Structure

InChI Key FYXRSVDHGLUMHB-UHFFFAOYSA-N
Smiles Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1
InChI
InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19F4N7
Molecular Weight 445.42
AlogP 4.3
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 75.52
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Ribosomal protein S6 kinase 1 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- 4 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 29
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4 - - 29

Target Conservation

Protein: Ribosomal protein S6 kinase 1
Description: Ribosomal protein S6 kinase beta-1
Organism : Homo sapiens
P23443 ENSG00000108443

Cross References

Resources Reference
ChEMBL CHEMBL3545076
DrugBank DB12690
FDA SRS I4965C6W4O
Guide to Pharmacology 8248
PubChem 25118925
SureChEMBL SCHEMBL311369
ZINC ZINC000043204100
CONTENTS