Compound Detail

CHEMBL6019298

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C[C@H](Nc1ccc2c(c1)OCCn1cc(-c3ncnn3CC(F)(F)F)nc1-2)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6019298
Phase	Preclinical
Structure Type	MOL
InChI Key	AHNACMAJVLLNSG-JTQLQIEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

421.4

MW (Da)

2.05

ALogP

HBA

HBD

112.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Ki 4 meas. best 10.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	Ki	10.64	10.64	0.0	1
Unchecked CHEMBL612545	Ki	10.64	10.64	0.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	Ki	8.98	8.98	1.1	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	Ki	8.98	8.98	1.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	0.023	nM	10.64	p110alpha (Alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.023	nM	10.64	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	1.05	nM	8.98	p110alpha (Alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	1.05	nM	8.98	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-

Data from ChEMBL 36 via Core Engine