Compound Detail

CHEMBL603469

LESTAURTINIB

🧪 Phase III

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🧪 Phase III

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL603469
Name	LESTAURTINIB
Phase	Phase III
Structure Type	MOL
InChI Key	UIARLYUEJFELEN-LROUJFHJSA-N

Known Names

A-154475 A-154475.0 CEP-701 KT-555 KT-5555 KT5555 Lestaurtinib SP-924 SP924 SPM-924

926

Targets

1,462

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

439.5

MW (Da)

3.47

ALogP

HBA

HBD

88.7

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem	-tinib
USAN Year	2004

Extended Properties

Molecular Formula	C26H21N3O4
MW	439.47
Aromatic Rings	5
Heavy Atoms	33
NP-Likeness	1.14

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor	INHIBITOR	Receptor-type tyrosine-protein kinase FLT3	✓	✓
Tyrosine-protein kinase JAK2 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK2	✓	✓
Nerve growth factor receptor Trk-A inhibitor	INHIBITOR	High affinity nerve growth factor receptor	✓	✓
Neurotrophic tyrosine kinase receptor type 2 inhibitor	INHIBITOR	BDNF/NT-3 growth factors receptor	✓	✓
NT-3 growth factor receptor inhibitor	INHIBITOR	NT-3 growth factor receptor	✓	✓
Tyrosine-protein kinase receptor RET inhibitor	INHIBITOR	Proto-oncogene tyrosine-protein kinase receptor Ret	✓	✓

Indications

Precursor Cell Lymphoblastic Leukemia-Lymphoma Leukemia Leukemia, Myeloid, Acute Multiple Myeloma Polycythemia Vera Prostatic Neoplasms, Castration-Resistant Psoriasis Thrombocythemia, Essential Neuroblastoma Primary Myelofibrosis

Activity Summary

Kd 843 meas. best 9.41

IC50 619 meas. best 9.48

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MV4-11 CHEMBL613835	IC50	9.48	8.7367	0.3	3
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform CHEMBL4004	Kd	9.41	9.41	0.4	2
Mitogen-activated protein kinase kinase kinase 19 CHEMBL6191	Kd	9.28	9.28	0.5	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	9.24	8.4827	0.6	15
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	9.05	8.5925	0.9	8
NUAK family SNF1-like kinase 2 CHEMBL5698	Kd	9.0	8.38	1.0	3
Serine/threonine-protein kinase LATS2 CHEMBL5907	Kd	9.0	9.0	1.0	2
Tyrosine-protein kinase JAK3 CHEMBL2148	Kd	8.96	8.7467	1.1	3
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Kd	8.85	8.85	1.4	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.82	8.4723	1.5	13
Receptor-type tyrosine-protein kinase FLT3 CHEMBL2034796	IC50	8.82	8.82	1.5	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	8.82	8.23	1.5	3
Unchecked CHEMBL612545	Kd	8.82	6.8043	1.5	7
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Kd	8.77	8.15	1.7	3
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Kd	8.77	7.915	1.7	2
Serine/threonine-protein kinase N2 CHEMBL3032	Kd	8.74	8.09	1.8	3
Serine/threonine-protein kinase 3 CHEMBL4708	Kd	8.62	8.2533	2.4	3
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Kd	8.6	8.52	2.5	2
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	8.55	8.2233	2.8	3
Serine/threonine-protein kinase Chk1 CHEMBL4630	Kd	8.55	8.08	2.8	3
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	8.54	8.54	2.9	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Kd	8.54	8.4275	2.9	4
Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776	Kd	8.54	8.54	2.9	2
Dual specificity protein kinase CLK4 CHEMBL4203	Kd	8.52	8.52	3.0	2
Serine/threonine-protein kinase 4 CHEMBL4598	Kd	8.52	8.13	3.0	3
BaF3 CHEMBL614524	IC50	8.52	8.41	3.0	2
AP2-associated protein kinase 1 CHEMBL3830	Kd	8.51	8.0667	3.1	3
Mitogen-activated protein kinase kinase kinase 15 CHEMBL1163127	Kd	8.47	8.47	3.4	2
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Kd	8.47	8.47	3.4	2
Serine/threonine-protein kinase 17A CHEMBL4525	Kd	8.47	8.47	3.4	2
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	8.46	8.46	3.5	1
Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872	Kd	8.46	8.46	3.5	2
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Kd	8.46	7.6167	3.5	3
Misshapen-like kinase 1 CHEMBL5518	Kd	8.44	8.09	3.6	3
NUAK family SNF1-like kinase 1 CHEMBL5784	Kd	8.43	8.43	3.7	2
Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897	Kd	8.42	7.6467	3.8	3
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Kd	8.41	7.69	3.9	3
Aurora kinase C CHEMBL3935	Kd	8.39	8.39	4.1	2
eIF-2-alpha kinase GCN2 CHEMBL5358	Kd	8.39	8.39	4.1	2
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	8.33	7.8656	4.7	9
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Kd	8.33	7.9533	4.7	3
Mitogen-activated protein kinase kinase kinase 2 CHEMBL5914	Kd	8.32	7.43	4.8	3
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	8.31	7.7633	4.9	3
Mitogen-activated protein kinase 15 CHEMBL5198	Kd	8.31	8.31	4.9	2
Dual specificity mitogen-activated protein kinase kinase 3 CHEMBL2109	Kd	8.3	7.84	5.0	3
Serine/threonine-protein kinase 17B CHEMBL3980	Kd	8.3	8.3	5.0	2
Dual serine/threonine and tyrosine protein kinase CHEMBL1908386	Kd	8.28	8.28	5.3	1
Serine/threonine-protein kinase N1 CHEMBL3384	Kd	8.28	7.7533	5.3	3
TRAF2 and NCK-interacting protein kinase CHEMBL4527	Kd	8.27	8.27	5.4	2
Calcium-dependent protein kinase 1 CHEMBL1908387	Kd	8.25	8.25	5.6	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	0.88	uM.hr	Mus musculus
Cmax	140.0	nM	Mus musculus
Tmax	0.92	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MV4-11	IC50	=	0.3337	nM	9.48	SANGER: Inhibition of human MV-4-11 cell growth in a cell viability assay.	-
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform	Kd	=	0.39	nM	9.41	Binding affinity to PHKG1	19654408
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform	Kd	=	0.39	nM	9.41	Binding constant for PHKG1 kinase domain	22037378
Mitogen-activated protein kinase kinase kinase 19	Kd	=	0.52	nM	9.28	Binding affinity to YSK4	19654408
Mitogen-activated protein kinase kinase kinase 19	Kd	=	0.52	nM	9.28	Binding constant for YSK4 kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.57	nM	9.24	Binding affinity to FLT3 D835Y mutant	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.57	nM	9.24	Binding constant for FLT3(D835Y) kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.66	nM	9.18	Binding affinity to FLT3 D835H mutant	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.66	nM	9.18	Binding constant for FLT3(D835H) kinase domain	22037378
Tyrosine-protein kinase JAK2	IC50	=	0.9	nM	9.05	Inhibition of JAK 2 (unknown origin)	33539089
Tyrosine-protein kinase JAK2	IC50	=	0.9	nM	9.05	Inhibition of wild-type JAK2 (unknown origin) expressed in baculovirus using bio...	35749986
NUAK family SNF1-like kinase 2	Kd	=	1.0	nM	9.0	Binding constant for SNARK kinase domain	22037378
Serine/threonine-protein kinase LATS2	Kd	=	1.0	nM	9.0	Binding constant for LATS2 kinase domain	22037378
NUAK family SNF1-like kinase 2	Kd	=	1.0	nM	9.0	Binding affinity to SNARK	19654408
Serine/threonine-protein kinase LATS2	Kd	=	1.0	nM	9.0	Binding affinity to LATS2	19654408
Tyrosine-protein kinase JAK2	IC50	=	1.0	nM	9.0	Inhibition of GST tagged JAK2 (unknown origin) expressed in insect cells	19295546
Tyrosine-protein kinase JAK2	IC50	=	1.0	nM	9.0	Inhibition of JAK2 (unknown origin)	35923716
Tyrosine-protein kinase JAK3	Kd	=	1.1	nM	8.96	Binding affinity to recombinant human JAK3 kinase domain by fluorescence polariz...	38843875
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.4	nM	8.85	Binding affinity to FLT3 N841I mutant	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.4	nM	8.85	Binding constant for FLT3(N841I) kinase domain	22037378

Literature References

PubMed	DOI	Target Context	# Activities
22037378	10.1038/nbt.1990	Tyrosine-protein kinase ABL1	15
22037378	10.1038/nbt.1990	Epidermal growth factor receptor	12
22037378	10.1038/nbt.1990	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
26254279	10.18632/oncotarget.4214	Unchecked	9
19654408	10.1182/blood-2009-05-222034	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	9
19654408	10.1182/blood-2009-05-222034	Tyrosine-protein kinase ABL1	9
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
19654408	10.1182/blood-2009-05-222034	Receptor-type tyrosine-protein kinase FLT3	8
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
38843875	10.1021/acs.jmedchem.4c00197	Tyrosine-protein kinase JAK2	7
19654408	10.1182/blood-2009-05-222034	Mast/stem cell growth factor receptor Kit	6
19654408	10.1182/blood-2009-05-222034	Unchecked	6
20156689	10.1016/j.bmc.2010.01.056	Macrophage colony-stimulating factor 1 receptor	6
19654408	10.1182/blood-2009-05-222034	Epidermal growth factor receptor	6
38843875	10.1021/acs.jmedchem.4c00197	Unchecked	4
22037378	10.1038/nbt.1990	Proto-oncogene tyrosine-protein kinase receptor Ret	4
19654408	10.1182/blood-2009-05-222034	Proto-oncogene tyrosine-protein kinase receptor Ret	4
19654408	10.1182/blood-2009-05-222034	Mus musculus	3
29191878	10.1126/science.aan4368	Unchecked	3
19654408	10.1182/blood-2009-05-222034	Hepatocyte growth factor receptor	3

Data from ChEMBL 36 via Core Engine