Compound Detail

CHEMBL1977138

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CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1977138
Phase	Preclinical
Structure Type	MOL
InChI Key	HZPACYSNLOCDLW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

358.4

MW (Da)

4.00

ALogP

HBA

HBD

79.4

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C20H15FN6
MW	358.38
Aromatic Rings	4
Heavy Atoms	27
NP-Likeness	-2.07

Activity Summary

Ki 66 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	9.0	9.0	1.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	8.3	8.3	5.0	1
Cyclin-dependent kinase 8 CHEMBL5719	Ki	8.1	8.1	7.9	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	7.9	7.9	12.6	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.9	7.9	12.6	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	7.8	7.8	15.8	1
Aurora kinase B CHEMBL2185	Ki	7.6	7.3	25.1	3
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	7.6	7.6	25.1	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	7.5	7.5	31.6	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.2	7.2	63.1	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	7.2	6.85	63.1	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	7.2	7.2	63.1	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	7.2	7.2	63.1	1
Aurora kinase A CHEMBL4722	Ki	7.1	6.9	79.4	2
Death-associated protein kinase 3 CHEMBL2468	Ki	7.0	7.0	100.0	1
Activated CDC42 kinase 1 CHEMBL4599	Ki	7.0	7.0	100.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.9	6.9	125.9	1
Focal adhesion kinase 1 CHEMBL2695	Ki	6.9	6.9	125.9	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.8	6.8	158.5	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	6.8	6.8	158.5	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	6.8	6.8	158.5	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	6.7	6.7	199.5	1
Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147	Ki	6.6	6.6	251.2	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	6.6	6.6	251.2	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.6	6.6	251.2	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.6	6.6	251.2	1
Protein kinase C theta type CHEMBL3920	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.4	6.4	398.1	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.4	6.4	398.1	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.3	6.3	501.2	1
NT-3 growth factor receptor CHEMBL5608	Ki	6.3	6.3	501.2	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.3	6.3	501.2	1
LIM domain kinase 1 CHEMBL3836	Ki	6.3	6.3	501.2	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.2	6.2	631.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.2	6.2	631.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.1	6.1	794.3	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.1	6.1	794.3	1
Activin receptor type-1 CHEMBL5903	Ki	6.1	6.1	794.3	1
G protein-coupled receptor kinase 5 CHEMBL5678	Ki	6.1	6.1	794.3	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	6.1	6.1	794.3	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Ki	6.0	6.0	1000.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.0	6.0	1000.0	1
Casein kinase I isoform alpha CHEMBL2793	Ki	6.0	6.0	1000.0	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	5.9	5.9	1258.9	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	5.9	5.9	1258.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	Ki	=	1.0	nM	9.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 8	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leucine-rich repeat serine/threonine-protein kinase 2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 7	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
ALK tyrosine kinase receptor	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
5'-AMP-activated protein kinase catalytic subunit alpha-1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activated CDC42 kinase 1	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Focal adhesion kinase 1	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