Compound Detail

CHEMBL1966816

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O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1966816
Phase	Preclinical
Structure Type	MOL
InChI Key	RQJIDUOCLNMUHR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

350.3

MW (Da)

4.43

ALogP

HBA

HBD

66.9

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C16H10F4N4O
MW	350.28
Aromatic Rings	3
Heavy Atoms	25
NP-Likeness	-1.96

Activity Summary

Ki 33 meas. best 7.9

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.9	7.9	12.6	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.7	7.7	19.9	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	7.5	7.5	31.6	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.4	7.4	39.8	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	7.4	7.4	39.8	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.3	7.3	50.1	1
Casein kinase II subunit alpha CHEMBL3629	Ki	7.1	7.1	79.4	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.8	6.8	158.5	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.7	6.7	199.5	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	6.7	6.7	199.5	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	6.3	6.3	501.2	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.0	6.0	1000.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	5.9	5.9	1258.9	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	Ki	5.9	5.9	1258.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase PLK3 CHEMBL4897	Ki	5.6	5.6	2511.9	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	5.6	5.6	2511.9	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Ki	5.5	5.5	3162.3	1
SRSF protein kinase 1 CHEMBL4375	Ki	5.4	5.4	3981.1	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	5.4	5.4	3981.1	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	5.4	5.4	3981.1	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	5.3	5.3	5011.9	1
Mitogen-activated protein kinase 12 CHEMBL4674	Ki	5.3	5.3	5011.9	1
Aurora kinase B CHEMBL2185	Ki	5.3	5.3	5011.9	1
MAP kinase-activated protein kinase 3 CHEMBL4670	Ki	5.2	5.2	6309.6	1
Casein kinase I isoform gamma-3 CHEMBL5084	Ki	5.2	5.2	6309.6	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	5.2	5.2	6309.6	1
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	5.1	5.1	7943.3	1
Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896	Ki	5.1	5.1	7943.3	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	5.1	5.1	7943.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 4	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 2	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase II subunit alpha	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 1	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 3	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP/microtubule affinity-regulating kinase 3	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-2	Ki	=	1258.93	nM	5.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	1258.93	nM	5.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-3	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK3	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 4	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine