Compound Detail

CHEMBL1964692

Enter ChEMBL ID:

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

Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1964692
Phase	Preclinical
Structure Type	MOL
InChI Key	XCHWBXBDZRJVDP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

426.4

MW (Da)

4.88

ALogP

HBA

HBD

97.9

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C21H17F3N6O
MW	426.40
Aromatic Rings	4
Heavy Atoms	31
NP-Likeness	-1.43

Activity Summary

Ki 60 meas. best 9.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	9.2	9.2	0.6	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	9.1	9.1	0.8	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	8.6	8.6	2.5	1
Serine/threonine-protein kinase NLK CHEMBL5364	Ki	8.6	8.6	2.5	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	8.3	8.3	5.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	8.0	8.0	10.0	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	7.9	7.9	12.6	1
Ephrin type-A receptor 2 CHEMBL2068	Ki	7.8	7.8	15.8	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	7.6	7.6	25.1	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	7.4	7.4	39.8	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.2	7.2	63.1	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.2	7.2	63.1	1
Aurora kinase B CHEMBL2185	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.1	7.1	79.4	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.0	7.0	100.0	1
Focal adhesion kinase 1 CHEMBL2695	Ki	7.0	7.0	100.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	6.9	6.9	125.9	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.9	6.9	125.9	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.9	6.9	125.9	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.8	6.8	158.5	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	6.8	6.8	158.5	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	6.6	6.6	251.2	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.6	6.6	251.2	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	6.6	6.6	251.2	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.6	6.6	251.2	1
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	6.6	6.6	251.2	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	6.5	6.5	316.2	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.5	6.5	316.2	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	6.5	6.5	316.2	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.5	6.5	316.2	1
Epidermal growth factor receptor CHEMBL203	Ki	6.5	6.5	316.2	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.4	6.4	398.1	1
Megakaryocyte-associated tyrosine-protein kinase CHEMBL4175	Ki	6.4	6.4	398.1	1
SRSF protein kinase 1 CHEMBL4375	Ki	6.4	6.4	398.1	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	6.3	6.3	501.2	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.3	6.3	501.2	1
Casein kinase I isoform gamma-3 CHEMBL5084	Ki	6.2	6.2	631.0	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.2	6.2	631.0	1
Misshapen-like kinase 1 CHEMBL5518	Ki	6.2	6.2	631.0	1
Protein-tyrosine kinase 6 CHEMBL4601	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	6.1	6.1	794.3	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	6.1	6.1	794.3	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	Ki	6.0	6.0	1000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 1	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase NLK	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 5	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase beta-1	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ephrin type-A receptor 2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
BDNF/NT-3 growth factors receptor	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mast/stem cell growth factor receptor Kit	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lyn	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Blk	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Focal adhesion kinase 1	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine