Compound Detail

CHEMBL1762786

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Cc1nccc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1762786
Phase	Preclinical
Structure Type	MOL
InChI Key	BGMKCGCGSXNEDR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

317.4

MW (Da)

3.57

ALogP

HBA

HBD

75.9

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase mTOR CHEMBL2842	IC50	6.43	5.9	370.0	3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	6.43	6.43	370.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	370.0	nM	6.43	Inhibition of PI3Kalpha	21376583
Serine/threonine-protein kinase mTOR	IC50	=	370.0	nM	6.43	Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-...	21376583
Serine/threonine-protein kinase mTOR	IC50	=	600.0	nM	6.22	Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation...	21376583
Serine/threonine-protein kinase mTOR	IC50	=	8900.0	nM	5.05	Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation...	21376583

PubMed	DOI	Target Context	# Activities
21376583	10.1016/j.bmcl.2011.02.007	Serine/threonine-protein kinase mTOR	3
21376583	10.1016/j.bmcl.2011.02.007	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1

Data from ChEMBL 36 via Core Engine