Compound Detail

CHEMBL1242204

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1242204
Phase	Preclinical
Structure Type	MOL
InChI Key	YYVUOZULIDAKRN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

303.3

MW (Da)

3.39

ALogP

HBA

HBD

89.7

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.29

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Uridine diphosphate glucose pyrophosphatase NUDT14 CHEMBL4105943	IC50	6.29	6.29	519.0	1
ADP-sugar pyrophosphatase CHEMBL4105713	IC50	5.69	5.69	2040.0	1
DNA-dependent protein kinase catalytic subunit CHEMBL3142	IC50	5.3	5.3	5000.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	4.92	4.92	12000.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	4.64	4.64	23000.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	4.3	4.3	50000.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	4.0	4.0	100000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Uridine diphosphate glucose pyrophosphatase NUDT14	IC50	=	519.0	nM	6.29	Antagonist activity at N-terminal his6-tagged human recombinant NUDT14 (1 to 222...	38635563
ADP-sugar pyrophosphatase	IC50	=	2040.0	nM	5.69	Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 ...	38635563
DNA-dependent protein kinase catalytic subunit	IC50	=	5000.0	nM	5.3	Inhibition of DNA-PK by radioactive phosphotransfer assay in presence of 10 uM A...	18849971
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	12000.0	nM	4.92	Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in pres...	18849971
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	23000.0	nM	4.64	Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in pres...	18849971
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	50000.0	nM	4.3	Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in pres...	18849971
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	100000.0	nM	4.0	Inhibition of recombinant PI3Kbeta by radioactive phosphotransfer assay in prese...	18849971

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4888484	Plasmodium falciparum	2
18849971	10.1038/nchembio.117	Tyrosine-protein kinase HCK	1
38635563	10.1021/acs.jmedchem.4c00072	Uridine diphosphate glucose pyrophosphatase NUDT14	1
38635563	10.1021/acs.jmedchem.4c00072	ADP-sugar pyrophosphatase	1
18849971	10.1038/nchembio.117	Ephrin type-B receptor 4	1
18849971	10.1038/nchembio.117	Epidermal growth factor receptor	1
18849971	10.1038/nchembio.117	Vascular endothelial growth factor receptor 2	1
18849971	10.1038/nchembio.117	Unchecked	1
18849971	10.1038/nchembio.117	Proto-oncogene tyrosine-protein kinase Src	1
18849971	10.1038/nchembio.117	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
18849971	10.1038/nchembio.117	Tyrosine-protein kinase ABL1	1
18849971	10.1038/nchembio.117	Phosphatidylinositol 4-kinase beta	1
18849971	10.1038/nchembio.117	DNA-dependent protein kinase catalytic subunit	1
18849971	10.1038/nchembio.117	Serine/threonine-protein kinase mTOR	1
18849971	10.1038/nchembio.117	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1
18849971	10.1038/nchembio.117	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1
18849971	10.1038/nchembio.117	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	1

Data from ChEMBL 36 via Core Engine