PKI-179


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


InChI Key	WXUUCRLKXQMWRY-UHFFFAOYSA-N
Smiles	O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1
InChI	InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)

Mechanism of Action	Action	Reference
PI3-kinase p110-alpha subunit inhibitor	INHIBITOR	PubMed


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











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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8	-	3000	-	-	-
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily	-	0	-	-	-
Enzyme Transferase	-	8-14	-	-	-

Assay Description	Organism	Bioactivity
Inhibition of PI3K-alpha	None	8.0 nM
Inhibition of PI3K-gamma	None	74.0 nM
Inhibition of mTOR	None	0.42 nM
Antiproliferative activity against human MDA-MB-361 cells	Homo sapiens	22.0 nM
Antiproliferative activity against human PC3 cells	Homo sapiens	29.0 nM
Inhibition of PI3K-beta	None	24.0 nM
Inhibition of PI3K-delta	None	77.0 nM
Inhibition of PI3K-alpha E545K mutant	Homo sapiens	14.0 nM
Inhibition of PI3K-alpha H104R mutant	None	11.0 nM

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