Compound Detail

CHEMBL3545328

XL-019

Phase I

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Phase I

O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3545328
Name	XL-019
Phase	Phase I
Structure Type	MOL
InChI Key	ISOCDPQFIXDIMS-UHFFFAOYSA-N

Known Names

Xl-019 XL019

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

444.5

MW (Da)

3.41

ALogP

HBA

HBD

91.4

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Extended Properties

Molecular Formula	C25H28N6O2
MW	444.54
Aromatic Rings	3
Heavy Atoms	33
NP-Likeness	-1.47

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase JAK2 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK2	✓	✓

Indications

Myeloproliferative Disorders Polycythemia Vera Primary Myelofibrosis Thrombocythemia, Essential

Activity Summary

Kd 33 meas. best 8.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
AP2-associated protein kinase 1 CHEMBL3830	Kd	8.22	8.22	6.0	1
Uncharacterized protein FLJ45252 CHEMBL4105933	Kd	8.15	8.15	7.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	7.7	7.7	20.0	1
Serine/threonine-protein kinase NLK CHEMBL5364	Kd	7.57	7.57	27.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	7.3	7.3	50.0	1
Myosin light chain kinase CHEMBL4627	Kd	7.01	7.01	98.0	1
AarF domain-containing protein kinase 1 CHEMBL4105885	Kd	6.7	6.7	202.0	1
Serine/threonine-protein kinase SIK3 CHEMBL6149	Kd	6.69	6.69	206.0	1
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	6.53	6.53	297.0	1
Serine/threonine-protein kinase SIK2 CHEMBL5699	Kd	6.52	6.52	300.0	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Kd	6.47	6.47	342.0	1
Serine/threonine-protein kinase Nek3 CHEMBL5679	Kd	6.45	6.45	353.0	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Kd	6.45	6.45	354.0	1
Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932	Kd	6.41	6.41	390.0	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	Kd	6.25	6.25	561.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Kd	6.07	6.07	844.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	6.04	6.04	908.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	5.95	5.95	1118.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	5.88	5.88	1328.0	1
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma CHEMBL1770034	Kd	5.8	5.8	1595.0	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Kd	5.79	5.79	1609.0	1
Serine/threonine-protein kinase Nek9 CHEMBL5257	Kd	5.66	5.66	2186.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Kd	5.53	5.53	2957.0	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Kd	5.5	5.5	3200.0	1
Unchecked CHEMBL612545	Kd	5.5	5.385	3138.0	2
LIM domain kinase 1 CHEMBL3836	Kd	5.49	5.49	3242.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	5.44	5.44	3619.0	1
Serine/threonine-protein kinase LATS1 CHEMBL6167	Kd	5.42	5.42	3790.0	1
Rho-associated protein kinase 2 CHEMBL2973	Kd	5.4	5.4	3974.0	1
Casein kinase II subunit alpha' CHEMBL4070	Kd	5.15	5.15	7149.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	4.9	4.9	12492.0	1
Serine/threonine-protein kinase D2 CHEMBL4900	Kd	4.17	4.17	66852.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
AP2-associated protein kinase 1	Kd	=	6.0	nM	8.22	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Uncharacterized protein FLJ45252	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
BMP-2-inducible protein kinase	Kd	=	20.0	nM	7.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase NLK	Kd	=	27.0	nM	7.57	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Cyclin-G-associated kinase	Kd	=	50.0	nM	7.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Myosin light chain kinase	Kd	=	98.0	nM	7.01	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
AarF domain-containing protein kinase 1	Kd	=	202.0	nM	6.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase SIK3	Kd	=	206.0	nM	6.69	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase ULK3	Kd	=	297.0	nM	6.53	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase SIK2	Kd	=	300.0	nM	6.52	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Inhibitor of nuclear factor kappa-B kinase subunit epsilon	Kd	=	342.0	nM	6.47	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
MAP kinase-activated protein kinase 2	Kd	=	354.0	nM	6.45	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase Nek3	Kd	=	353.0	nM	6.45	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitotic checkpoint serine/threonine-protein kinase BUB1	Kd	=	390.0	nM	6.41	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase TBK1	Kd	=	561.0	nM	6.25	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase 8	Kd	=	844.0	nM	6.07	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase PLK4	Kd	=	908.0	nM	6.04	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Platelet-derived growth factor receptor beta	Kd	=	1118.0	nM	5.95	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Proto-oncogene tyrosine-protein kinase receptor Ret	Kd	=	1328.0	nM	5.88	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma	Kd	=	1595.0	nM	5.8	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	Mitogen-activated protein kinase kinase kinase 20	1
29191878	10.1126/science.aan4368	RAC-alpha serine/threonine-protein kinase	1
29191878	10.1126/science.aan4368	Adenylate kinase 2, mitochondrial	1
29191878	10.1126/science.aan4368	Beta-adrenergic receptor kinase 1	1
29191878	10.1126/science.aan4368	Adenosine kinase	1
29191878	10.1126/science.aan4368	Atypical kinase COQ8A, mitochondrial	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	Activin receptor type-1B	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 1	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1

Data from ChEMBL 36 via Core Engine