Compound Detail

CHEMBL1765616

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O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)c(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1765616
Phase	Preclinical
Structure Type	MOL
InChI Key	IQGMJYILEXBILT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

451.9

MW (Da)

6.55

ALogP

HBA

HBD

47.8

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 8.0

IC50 1 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase mTOR CHEMBL1255165	EC50	8.0	8.0	10.0	1
Unchecked CHEMBL612545	IC50	7.57	7.57	26.7	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	EC50	6.3	6.3	500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase mTOR	EC50	=	10.0	nM	8.0	Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at T...	21322566
Unchecked	IC50	=	26.7	nM	7.57	Inhibition of human mTOR complex 1 after 30 mins by FRET assay	21322566
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	EC50	=	500.0	nM	6.3	Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed...	21322566

PubMed	DOI	Target Context	# Activities
21322566	10.1021/jm101520v	Serine/threonine-protein kinase mTOR	1
21322566	10.1021/jm101520v	Unchecked	1
21322566	10.1021/jm101520v	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1

Data from ChEMBL 36 via Core Engine