SERABELISIB

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Synonyms
Status
Molecule Category Free-form
UNII 43J9Q56T3W

Structure

InChI Key BLGWHBSBBJNKJO-UHFFFAOYSA-N
Smiles Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1
InChI
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N5O3
Molecular Weight 363.38
AlogP 2.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 98.89
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-alpha subunit inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 15-15 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15-15 - - -

Target Conservation

Protein: PI3-kinase p110-alpha subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Organism : Homo sapiens
P42336 ENSG00000121879

Cross References

Resources Reference
ChEMBL CHEMBL3935857
DrugBank DB14935
FDA SRS 43J9Q56T3W
Guide to Pharmacology 8969
SureChEMBL SCHEMBL12928418
ZINC ZINC000146965425
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