Compound Detail

CHEMBL1725279

SP-600125

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Oc1c2ccccc2c2c3c(cccc13)N=N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1725279
Name	SP-600125
Phase	Preclinical
Structure Type	MOL
InChI Key	KRIUNPBAQZGFQA-UHFFFAOYSA-N

115

Targets

146

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

220.2

MW (Da)

4.43

ALogP

HBA

HBD

45.0

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C14H8N2O
MW	220.23
Aromatic Rings	3
Heavy Atoms	17
NP-Likeness	0.27

Activity Summary

Ki 82 meas. best 8.4

Kd 38 meas. best 7.66

IC50 26 meas. best 7.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	8.4	8.4	4.0	1
NT-3 growth factor receptor CHEMBL5608	Ki	8.1	8.1	7.9	1
Aurora kinase B CHEMBL2185	Ki	8.0	8.0	10.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.8	7.8	15.8	1
Mitogen-activated protein kinase 10 CHEMBL2637	Kd	7.66	7.66	22.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	7.6	7.6	25.0	1
Casein kinase I isoform delta CHEMBL2828	Ki	7.5	7.5	31.6	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	7.46	7.46	35.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	7.42	7.42	38.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	IC50	7.4	6.802	40.0	5
Mitogen-activated protein kinase 9 CHEMBL4179	IC50	7.4	7.4	40.0	3
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	7.4	7.4	39.8	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	7.3	7.3	50.1	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	7.3	7.3	50.1	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.3	7.3	50.1	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	7.2	7.2	63.1	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	7.2	7.2	63.1	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase Fes/Fps CHEMBL5455	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase 9 CHEMBL4179	Kd	7.08	7.08	84.0	1
Mitogen-activated protein kinase 10 CHEMBL2637	IC50	7.05	6.574	90.0	5
Dual specificity protein kinase TTK CHEMBL3983	IC50	7.01	6.305	98.0	2
Dual specificity protein kinase TTK CHEMBL3983	Kd	7.01	7.01	98.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Kd	7.0	7.0	100.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.0	7.0	100.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.9	6.9	125.9	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.9	6.9	125.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.9	6.9	125.9	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.9	6.9	125.9	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	6.8	6.8	158.5	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.8	6.8	158.5	1
Cyclin-dependent kinase 16 CHEMBL4597	Kd	6.75	6.75	180.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.7	6.7	199.5	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	6.7	6.7	199.5	1
Misshapen-like kinase 1 CHEMBL5518	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase 3 CHEMBL4310	Kd	6.66	6.66	220.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.6	6.6	251.2	1
Dual specificity protein kinase CLK4 CHEMBL4203	Kd	6.58	6.58	260.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Kd	6.52	6.52	300.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.5	6.5	316.2	1
Casein kinase I isoform alpha CHEMBL2793	Ki	6.5	6.5	316.2	1
Protein kinase C gamma type CHEMBL2938	Ki	6.5	6.5	316.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MAP/microtubule affinity-regulating kinase 3	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 10	Kd	=	22.0	nM	7.66	Average Binding Constant for JNK3; NA=Not Active at 10 uM	15711537
BMP-2-inducible protein kinase	Kd	=	25.0	nM	7.6	Average Binding Constant for BIKE; NA=Not Active at 10 uM	15711537
Casein kinase I isoform delta	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
AP2-associated protein kinase 1	Kd	=	35.0	nM	7.46	Average Binding Constant for AAK1; NA=Not Active at 10 uM	15711537
Cyclin-G-associated kinase	Kd	=	38.0	nM	7.42	Average Binding Constant for GAK; NA=Not Active at 10 uM	15711537
Serine/threonine-protein kinase 17A	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 9	IC50	=	40.0	nM	7.4	Inhibition of JNK2 (unknown origin) by time-resolved fluorescence assay	25415535
Mitogen-activated protein kinase 9	IC50	=	40.0	nM	7.4	Inhibition of human JNK2	18077363
Mitogen-activated protein kinase 8	IC50	=	40.0	nM	7.4	Inhibition of JNK1	20146479
Mitogen-activated protein kinase 9	IC50	=	40.0	nM	7.4	Inhibition of JNK2	20146479
Mitogen-activated protein kinase 8	IC50	=	40.0	nM	7.4	Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay	25415535
Mitogen-activated protein kinase 8	IC50	=	40.0	nM	7.4	Inhibition of human JNK1	18077363
Mitogen-activated protein kinase 9	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fer	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
15711537	10.1038/nbt1068	Tyrosine-protein kinase ABL1	7
19734910	10.1038/nchembio.215	Plasmodium falciparum	5
23398362	10.1042/bj20121418	Insulin receptor	4
21345685	10.1016/j.bmc.2011.01.059	Nuclear factor erythroid 2-related factor 2	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 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	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
20014752	10.1021/tx900326k	Hepatotoxicity	3
23498914	10.1016/j.bmc.2013.02.021	Mitogen-activated protein kinase 10	3
25397676	10.1021/np500417d	Tumor necrosis factor ligand superfamily member 11	3
23791078	10.1016/j.bmcl.2013.05.058	RAW264.7	3
21815634	10.1021/jm200479c	Mitogen-activated protein kinase 8	3
23398362	10.1042/bj20121418	Fibroblast growth factor receptor 3	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	Tyrosine-protein kinase Fyn	2

Data from ChEMBL 36 via Core Engine