EGANELISIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII FOF5155FMZ

Structure

InChI Key XUMALORDVCFWKV-IBGZPJMESA-N
Smiles C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChI
InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H24N8O2
Molecular Weight 528.58
AlogP 3.24
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 125.13
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-gamma subunit inhibitor INHIBITOR Other PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - - - 88
Enzyme Transferase
- 0.29-250 0.29-82 - -
Enzyme
- 0.29-250 0.29-82 - 88
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.29-250 0.29-82 - 88
Mus musculus
- 1.2-980 - - -

Target Conservation

Protein: PI3-kinase p110-gamma subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Organism : Homo sapiens
P48736 ENSG00000105851

Cross References

Resources Reference
ChEMBL CHEMBL3984425
DrugBank DB16296
FDA SRS FOF5155FMZ
Guide to Pharmacology 9563
PDB V7Y
SureChEMBL SCHEMBL16629991
ZINC ZINC000584906867
CONTENTS