VOXTALISIB


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	RGHYDLZMTYDBDT-UHFFFAOYSA-N
Smiles	CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21
InChI	InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)

Mechanism of Action	Action	Reference
PI3-kinase class I inhibitor	INHIBITOR	PubMed PubMed Other


Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Organism : Homo sapiens O00329 ENSG00000171608











Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit beta Organism : Homo sapiens O00459 ENSG00000105647











Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit alpha Organism : Homo sapiens P27986 ENSG00000145675











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











Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Organism : Homo sapiens P42338 ENSG00000051382











Protein: Serine/threonine-protein kinase mTOR Description: Serine/threonine-protein kinase mTOR Organism : Homo sapiens P42345 ENSG00000198793












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











Protein: PI3-kinase class I Description: Phosphoinositide 3-kinase regulatory subunit 5 Organism : Homo sapiens Q8WYR1 ENSG00000141506











Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit gamma Organism : Homo sapiens Q92569 ENSG00000117461

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily	-	157-157	-	-	-
Enzyme Transferase	-	39-39	-	-	-

Assay Description	Organism	Bioactivity
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	84.29 %
Inhibition of PI3K p110alpha (unknown origin)	Homo sapiens	39.0 nM
Inhibition of PI3K p110beta (unknown origin)	Homo sapiens	113.0 nM
Inhibition of PI3K p110delta (unknown origin)	Homo sapiens	43.0 nM
Inhibition of PI3K p110gamma (unknown origin)	Homo sapiens	9.0 nM
Inhibition of mTOR (unknown origin)	Homo sapiens	157.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	117.96 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	2.5 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	2.5 %
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate in presence of ATP by luciferase-luciferin-coupled chemiluminescence assay	Homo sapiens	39.0 nM
Inhibition of mTOR (unknown origin)	Homo sapiens	157.0 nM

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