EGANELISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FOF5155FMZ

Structure
InChI Key XUMALORDVCFWKV-IBGZPJMESA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR PI3-kinase p110-gamma subunit inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 4800 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - - - 88
Enzyme Transferase
- 0.29-5000 0.29-0.29 -
Enzyme
- 0.29-5000 0.29-0.29 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

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