Compound Detail

CHEMBL124660

TANDUTINIB

🧪 Phase II

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

🧪 Phase II

COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL124660
Name	TANDUTINIB
Phase	Phase II
Structure Type	MOL
InChI Key	UXXQOJXBIDBUAC-UHFFFAOYSA-N

Known Names

CT 53518 CT-53518 CT53518 Mln-0518 MLN-518 NSC-759851 Tandutinib

Targets

233

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

562.7

MW (Da)

5.03

ALogP

HBA

HBD

92.3

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem	-tinib
USAN Year	2000

Extended Properties

Molecular Formula	C31H42N6O4
MW	562.72
Aromatic Rings	3
Heavy Atoms	41
NP-Likeness	-1.53

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor	INHIBITOR	Receptor-type tyrosine-protein kinase FLT3	✓	✓
Stem cell growth factor receptor inhibitor	INHIBITOR	Mast/stem cell growth factor receptor Kit	✓	✓
Platelet-derived growth factor receptor beta inhibitor	INHIBITOR	Platelet-derived growth factor receptor beta	✓	✓

Indications

Astrocytoma Carcinoma, Renal Cell Carcinoma, Renal Cell Gliosarcoma Oligodendroglioma Oligodendroglioma Glioblastoma Glioblastoma Leukemia, Myeloid, Acute Myelodysplastic Syndromes

Activity Summary

Kd 152 meas. best 8.82

IC50 72 meas. best 8.0

Ki 9 meas. best 7.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	8.82	7.4935	1.5	20
Platelet-derived growth factor receptor alpha CHEMBL2007	Kd	8.62	8.62	2.4	3
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	8.57	7.6473	2.7	22
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	8.35	8.29	4.5	4
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Kd	8.31	8.31	4.9	3
Phenylalanine--tRNA ligase beta subunit CHEMBL4105969	Kd	8.22	8.22	6.0	1
Unchecked CHEMBL612545	Kd	8.04	6.7133	9.1	6
MOLM-13 CHEMBL3706572	IC50	8.0	7.545	10.0	2
MOLM-14 CHEMBL3706570	IC50	8.0	8.0	10.0	1
Septin-9 CHEMBL4105891	Kd	8.0	8.0	10.0	1
BaF3 CHEMBL614524	IC50	8.0	8.0	10.0	1
Kasumi 1 CHEMBL613988	IC50	7.66	7.66	22.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	7.58	5.9264	26.0	11
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.48	6.1686	33.0	22
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	7.3	7.3	50.1	1
MV4-11 CHEMBL613835	IC50	7.26	7.028	55.0	5
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	7.2	7.2	63.1	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	6.92	6.92	120.0	1
Fibroblast growth factor receptor CHEMBL2095217	IC50	6.77	6.77	170.0	1
Unchecked CHEMBL612545	IC50	6.77	6.16	170.0	3
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.77	5.5778	170.0	9
High affinity nerve growth factor receptor CHEMBL2815	Kd	6.7	6.4375	200.0	4
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.7	6.7	199.5	1
Epidermal growth factor receptor CHEMBL203	Kd	6.68	6.4396	210.0	25
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.54	6.0667	290.0	3
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Kd	6.4	6.01	400.0	2
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.4	6.4	398.1	1
P815 CHEMBL614226	IC50	6.22	6.22	600.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	6.2	6.1125	630.0	4
Interleukin-1 receptor-associated kinase 3 CHEMBL5081	Kd	6.14	5.9875	730.0	4
BDNF/NT-3 growth factors receptor CHEMBL4898	Kd	6.13	6.13	740.0	3
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	6.11	5.9825	780.0	4
THP-1 CHEMBL614245	IC50	6.0	6.0	1000.0	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	5.9	5.9	1258.9	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	5.89	5.89	1300.0	2
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	5.85	5.85	1400.0	3
Aurora kinase C CHEMBL3935	Kd	5.8	5.8	1600.0	3
Activin receptor type-1 CHEMBL5903	Ki	5.8	5.8	1584.9	1
Dual specificity protein kinase CLK4 CHEMBL4203	Kd	5.8	5.8	1600.0	3
Aurora kinase B CHEMBL2185	Kd	5.77	5.77	1700.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Kd	5.72	5.455	1900.0	2
NT-3 growth factor receptor CHEMBL5608	Kd	5.7	5.7	2000.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.68	5.68	2070.0	1
Cyclin-dependent kinase 16 CHEMBL4597	Kd	5.62	5.32	2400.0	4
Activin receptor type-1 CHEMBL5903	Kd	5.6	5.6	2500.0	3
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Kd	5.57	5.57	2700.0	2
Cyclin-dependent kinase-like 2 CHEMBL5728	Kd	5.54	5.54	2900.0	2
Cyclin-dependent kinase 7 CHEMBL3055	Kd	5.51	5.51	3100.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	5.51	5.51	3100.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Kd	5.51	5.51	3100.0	3

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	1700.0	ng.hr.mL-1	Rattus norvegicus
AUC	2690.0	ng.hr.mL-1	Canis lupus familiaris
AUC	2920.0	ng.hr.mL-1	Simiiformes
AUC	157.56	ng.hr.mL-1	Mus musculus
Cmax	454.93	nM	Rattus norvegicus
Cmax	854.78	nM	Canis lupus familiaris
Cmax	563.34	nM	-
Cmax	81.0	nM	Mus musculus
F	23.8	%	Rattus norvegicus
F	97.6	%	Canis lupus familiaris
F	48.9	%	Primates
F	50.0	%	Canis lupus familiaris
F	100.0	%	Macaca mulatta
T1/2	4.75	hr	Homo sapiens
T1/2	10.6	hr	Rattus norvegicus
T1/2	14.3	hr	Canis lupus familiaris
T1/2	16.6	hr	Simiiformes
T1/2	4.75	hr	Homo sapiens
T1/2	7.0	hr	Canis lupus familiaris
T1/2	7.0	hr	Macaca mulatta
Tmax	1.0	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.5	nM	8.82	Binding affinity to FLT3 K663Q mutant	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.5	nM	8.82	Binding constant for FLT3(K663Q) kinase domain	22037378
Platelet-derived growth factor receptor alpha	Kd	=	2.4	nM	8.62	Binding constant for PDGFRA kinase domain	18183025
Platelet-derived growth factor receptor alpha	Kd	=	2.4	nM	8.62	Binding affinity to PDGFRA	19654408
Platelet-derived growth factor receptor alpha	Kd	=	2.4	nM	8.62	Binding constant for PDGFRA kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	2.7	nM	8.57	Binding constant for KIT kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	2.7	nM	8.57	Binding affinity to KIT	19654408
Mast/stem cell growth factor receptor Kit	Kd	=	2.7	nM	8.57	Binding affinity to human KIT incubated for 1 hr by kinase binding assay	21429632
Mast/stem cell growth factor receptor Kit	Kd	=	2.7	nM	8.57	Binding constant for KIT kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	3.0	nM	8.52	Binding constant for FLT3 kinase domain	18183025
Receptor-type tyrosine-protein kinase FLT3	Kd	=	3.0	nM	8.52	Binding affinity to FLT3 catalytic domain by KinomeScan kinase binding assay	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	3.0	nM	8.52	Binding affinity to FLT3	19654408
Receptor-type tyrosine-protein kinase FLT3	Kd	=	3.0	nM	8.52	Binding constant for FLT3 kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	3.5	nM	8.46	Average Binding Constant for FLT3; NA=Not Active at 10 uM	15711537
Mast/stem cell growth factor receptor Kit	Kd	=	3.8	nM	8.42	Binding constant for KIT(V559D) kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	3.8	nM	8.42	Binding constant for KIT(V559D) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	3.8	nM	8.42	Binding affinity to KIT V559D mutant	19654408
Platelet-derived growth factor receptor beta	Kd	=	4.5	nM	8.35	Binding affinity to PDGFRB	19654408
Platelet-derived growth factor receptor beta	Kd	=	4.5	nM	8.35	Binding constant for PDGFRB kinase domain	22037378
Platelet-derived growth factor receptor beta	Kd	=	4.5	nM	8.35	Binding constant for PDGFRB kinase domain	18183025

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	408
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
18183025	10.1038/nbt1358	Epidermal growth factor receptor	10
26254279	10.18632/oncotarget.4214	Mast/stem cell growth factor receptor Kit	9
19654408	10.1182/blood-2009-05-222034	Tyrosine-protein kinase ABL1	9
19654408	10.1182/blood-2009-05-222034	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	9
26254279	10.18632/oncotarget.4214	Receptor-type tyrosine-protein kinase FLT3	9
26254279	10.18632/oncotarget.4214	Platelet-derived growth factor receptor beta	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
15711537	10.1038/nbt1068	Tyrosine-protein kinase ABL1	7
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
18183025	10.1038/nbt1358	Tyrosine-protein kinase ABL1	7
19654408	10.1182/blood-2009-05-222034	Mast/stem cell growth factor receptor Kit	6
19654408	10.1182/blood-2009-05-222034	Epidermal growth factor receptor	6
12166950	10.1021/jm020143r	ADMET	6
19654408	10.1182/blood-2009-05-222034	Unchecked	6
18183025	10.1038/nbt1358	Receptor-type tyrosine-protein kinase FLT3	6

Data from ChEMBL 36 via Core Engine