Compound Detail

CHEMBL3401988

Enter ChEMBL ID:

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

Cc1noc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3401988
Phase	Preclinical
Structure Type	MOL
InChI Key	IYFIEJRWVMLGOG-DFYNNNJYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

437.4

MW (Da)

4.37

ALogP

HBA

HBD

105.4

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 7 meas. best 6.01

EC50 1 meas. best 6.92

IC50 1 meas. best 6.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Influenza A virus CHEMBL613740	EC50	6.92	6.92	120.0	1
Influenza A virus CHEMBL613740	IC50	6.68	6.68	210.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.01	6.01	970.0	1
Glycogen synthase kinase-3 CHEMBL2095188	Ki	6.01	6.01	980.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	5.96	5.96	1100.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	Ki	5.85	5.85	1400.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	Ki	5.64	5.64	2300.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	5.62	5.62	2400.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	Ki	5.6	5.6	2500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza A virus	EC50	=	120.0	nM	6.92	Antiviral activity against influenza A virus A/PR/8/34 strain incubated with MDC...	25827523
Influenza A virus	IC50	=	210.0	nM	6.68	Antiviral activity against Influenza A virus A/PR/8/34 strain incubated with MDC...	25827523
Glycogen synthase kinase-3	Ki	=	980.0	nM	6.01	Inhibition of GSK3 (unknown origin)	25827523
Receptor-type tyrosine-protein kinase FLT3	Ki	=	970.0	nM	6.01	Inhibition of FLT3 (unknown origin)	25827523
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	1100.0	nM	5.96	Inhibition of PKAa (unknown origin)	25827523
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	1400.0	nM	5.85	Inhibition of PI3Kgamma (unknown origin)	25827523
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Ki	=	2300.0	nM	5.64	Inhibition of PI3Kbeta (unknown origin)	25827523
Proto-oncogene tyrosine-protein kinase Src	Ki	=	2400.0	nM	5.62	Inhibition of SRC (unknown origin)	25827523
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	2500.0	nM	5.6	Inhibition of PI3Kdelta (unknown origin)	25827523

PubMed	DOI	Target Context	# Activities
25827523	10.1016/j.bmcl.2015.03.013	Influenza A virus	3
25827523	10.1016/j.bmcl.2015.03.013	Interleukin-1 receptor-associated kinase 4	1
25827523	10.1016/j.bmcl.2015.03.013	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	1
25827523	10.1016/j.bmcl.2015.03.013	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1
25827523	10.1016/j.bmcl.2015.03.013	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1
25827523	10.1016/j.bmcl.2015.03.013	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
25827523	10.1016/j.bmcl.2015.03.013	Hepatocyte growth factor receptor	1
25827523	10.1016/j.bmcl.2015.03.013	Serine/threonine-protein kinase PLK1	1
25827523	10.1016/j.bmcl.2015.03.013	Cyclin-dependent kinase 2	1
25827523	10.1016/j.bmcl.2015.03.013	Tyrosine-protein kinase SYK	1
25827523	10.1016/j.bmcl.2015.03.013	cAMP-dependent protein kinase catalytic subunit alpha	1
25827523	10.1016/j.bmcl.2015.03.013	Proto-oncogene tyrosine-protein kinase Src	1
25827523	10.1016/j.bmcl.2015.03.013	Vascular endothelial growth factor receptor 2	1
25827523	10.1016/j.bmcl.2015.03.013	Rho-associated protein kinase	1
25827523	10.1016/j.bmcl.2015.03.013	Mitogen-activated protein kinase 10	1
25827523	10.1016/j.bmcl.2015.03.013	Receptor-type tyrosine-protein kinase FLT3	1
25827523	10.1016/j.bmcl.2015.03.013	Glycogen synthase kinase-3	1
25827523	10.1016/j.bmcl.2015.03.013	Tyrosine-protein kinase JAK2	1

Data from ChEMBL 36 via Core Engine