Compound Detail

CHEMBL1516890

GW441756X

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Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1516890
Name	GW441756X
Phase	Preclinical
Structure Type	MOL
InChI Key	NXNQLECPAXXYTR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

275.3

MW (Da)

3.07

ALogP

HBA

HBD

46.9

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C17H13N3O
MW	275.31
Aromatic Rings	3
Heavy Atoms	21
NP-Likeness	-0.90

Activity Summary

Ki 63 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.8	7.8	15.8	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.6	7.6	25.1	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.3	7.3	50.1	1
Aurora kinase B CHEMBL2185	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	6.9	6.9	125.9	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.9	6.9	125.9	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.8	6.8	158.5	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.8	6.8	158.5	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.7	6.7	199.5	1
Aurora kinase A CHEMBL4722	Ki	6.6	6.6	251.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.5	6.5	316.2	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.5	6.5	316.2	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	6.4	6.4	398.1	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	6.4	6.4	398.1	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	6.3	6.3	501.2	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	6.3	6.3	501.2	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	6.2	6.2	631.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	6.2	6.2	631.0	1
Misshapen-like kinase 1 CHEMBL5518	Ki	6.1	6.1	794.3	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.1	6.1	794.3	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.1	6.1	794.3	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	6.1	6.1	794.3	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.0	6.0	1000.0	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	5.9	5.9	1258.9	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	5.9	5.9	1258.9	1
Casein kinase II subunit alpha CHEMBL3629	Ki	5.9	5.9	1258.9	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	5.9	5.9	1258.9	1
Insulin-like growth factor 1 receptor CHEMBL1957	Ki	5.9	5.9	1258.9	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	5.9	5.9	1258.9	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	5.8	5.8	1584.9	1
Casein kinase I isoform alpha CHEMBL2793	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	5.8	5.8	1584.9	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	5.8	5.8	1584.9	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	5.8	5.8	1584.9	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	5.7	5.7	1995.3	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	5.6	5.6	2511.9	1
Insulin receptor CHEMBL1981	Ki	5.6	5.6	2511.9	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	5.6	5.6	2511.9	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	5.6	5.6	2511.9	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	5.6	5.6	2511.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase Lyn	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 17A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform delta	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 4	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase ITK/TSK	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase 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 2	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 3	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	316.23	nM	6.5	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...	-
Tyrosine-protein kinase Blk	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL1961873	Tyrosine-protein kinase ABL1	14
-	10.6019/CHEMBL1961873	Epidermal growth factor receptor	10
-	10.6019/CHEMBL1961873	Platelet-derived growth factor receptor alpha	8
-	10.6019/CHEMBL1961873	Mast/stem cell growth factor receptor Kit	8
-	10.6019/CHEMBL1961873	Proto-oncogene tyrosine-protein kinase receptor Ret	6
-	10.6019/CHEMBL1961873	Receptor-type tyrosine-protein kinase FLT3	4
-	10.6019/CHEMBL1961873	Leucine-rich repeat serine/threonine-protein kinase 2	4
-	10.6019/CHEMBL1961873	Serine/threonine-protein kinase B-raf	4
-	10.6019/CHEMBL1961873	Tyrosine-protein kinase Lyn	4
-	10.6019/CHEMBL1961873	Protein kinase C beta type	4
-	10.6019/CHEMBL1961873	Cyclin-dependent kinase 2	4
-	10.6019/CHEMBL1961873	Protein kinase C theta type	2
-	10.6019/CHEMBL1961873	Serine/threonine-protein kinase D1	2
-	10.6019/CHEMBL1961873	Serine/threonine-protein kinase D3	2
-	10.6019/CHEMBL1961873	cGMP-dependent protein kinase 1	2
-	10.6019/CHEMBL1961873	cGMP-dependent protein kinase 2	2
-	10.6019/CHEMBL1961873	cAMP-dependent protein kinase catalytic subunit PRKX	2
-	10.6019/CHEMBL1961873	Protein kinase C gamma type	2
-	10.6019/CHEMBL1961873	Protein kinase C eta type	2
-	10.6019/CHEMBL2007661	Serine/threonine-protein kinase TBK1	2

Data from ChEMBL 36 via Core Engine