Compound Detail

CHEMBL274064

SB-220025

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Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL274064
Name	SB-220025
Phase	Preclinical
Structure Type	MOL
InChI Key	VSPFURGQAYMVAN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

338.4

MW (Da)

2.65

ALogP

HBA

HBD

81.7

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C18H19FN6
MW	338.39
Aromatic Rings	3
Heavy Atoms	25
NP-Likeness	-0.89

Activity Summary

Ki 29 meas. best 7.9

IC50 9 meas. best 7.72

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase I isoform alpha CHEMBL2793	Ki	7.9	7.9	12.6	1
Casein kinase I isoform delta CHEMBL2828	Ki	7.9	7.9	12.6	1
MAP kinase p38 CHEMBL2094115	IC50	7.72	7.47	19.0	2
Mitogen-activated protein kinase 14 CHEMBL260	IC50	7.72	7.71	19.0	4
Unchecked CHEMBL612545	IC50	7.22	7.22	60.0	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.6	6.6	251.2	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.3	6.3	501.2	1
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	IC50	6.16	6.16	700.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.1	6.1	794.3	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.1	6.1	794.3	1
LIM domain kinase 1 CHEMBL3836	Ki	6.1	6.1	794.3	1
Casein kinase II subunit alpha CHEMBL3629	Ki	6.1	6.1	794.3	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	6.0	6.0	1000.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.0	6.0	1000.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	5.9	5.9	1258.9	1
Misshapen-like kinase 1 CHEMBL5518	Ki	5.9	5.9	1258.9	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.9	5.9	1258.9	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	5.9	5.9	1258.9	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	5.8	5.8	1584.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	5.7	5.7	1995.3	1
Receptor tyrosine-protein kinase erbB-4 CHEMBL3009	Ki	5.6	5.6	2511.9	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	5.6	5.6	2511.9	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	5.6	5.6	2511.9	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	5.5	5.5	3162.3	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	5.5	5.5	3162.3	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	5.3	5.3	5011.9	1
Protein kinase C gamma type CHEMBL2938	Ki	5.2	5.2	6309.6	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	5.2	5.2	6309.6	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	5.2	5.2	6309.6	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	5.2	5.2	6309.6	1
Mitogen-activated protein kinase 1 CHEMBL4040	IC50	4.72	4.72	19000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase I isoform alpha	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform delta	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 14	IC50	=	19.0	nM	7.72	Inhibition of p38 alpha kinase	11597418
MAP kinase p38	IC50	=	19.0	nM	7.72	Inhibition of p38 MAPK activity assessed as EGFR phosphorylation	17948975
Mitogen-activated protein kinase 14	IC50	=	19.0	nM	7.72	Inhibition of human MAPK p38alpha	20188577
Mitogen-activated protein kinase 14	IC50	=	20.0	nM	7.7	Inhibitory concentration against mitogen-activated protein kinase p38 alpha	11354358
Mitogen-activated protein kinase 14	IC50	=	20.0	nM	7.7	Inhibition against Mitogen-activated protein kinase p38 alpha	11597418
Unchecked	IC50	=	60.0	nM	7.22	Inhibition of p38 MAP kinase	18077363
MAP kinase p38	IC50	=	60.0	nM	7.22	Inhibition of p38-MAPK (unknown origin)	37857324
Tyrosine-protein kinase Lck	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lyn	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 5	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-interacting serine/threonine-protein kinase 2	IC50	=	700.0	nM	6.16	Inhibition of amino terminal HA-tagged human RIPK2 transfected in mouse AML12 ce...	37857324
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
LIM domain kinase 1	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase II subunit alpha	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Maternal embryonic leucine zipper kinase	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
18077363	10.1073/pnas.0708800104	Unchecked	5
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Insulin receptor	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
11597418	10.1016/s0960-894x(01)00570-4	Mitogen-activated protein kinase 14	3
23398362	10.1042/bj20121418	Tyrosine-protein kinase ABL2	2
23398362	10.1042/bj20121418	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2
23398362	10.1042/bj20121418	Death-associated protein kinase 1	2
23398362	10.1042/bj20121418	Calcium/calmodulin-dependent protein kinase type 1D	2
23398362	10.1042/bj20121418	Casein kinase I isoform gamma-3	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin A	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase Nek7	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase 4	2
23398362	10.1042/bj20121418	Dual specificity mitogen-activated protein kinase kinase 1	2
23398362	10.1042/bj20121418	Aurora kinase A	2

Data from ChEMBL 36 via Core Engine