Compound Detail

CHEMBL1721885

SU-014813

🧪 Phase II

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🧪 Phase II

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1721885
Name	SU-014813
Phase	Phase II
Structure Type	MOL
InChI Key	CTNPALGJUAXMMC-PMFHANACSA-N

Known Names

Su-014813 Su-14813

244

Targets

500

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

442.5

MW (Da)

1.69

ALogP

HBA

HBD

106.7

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Extended Properties

Molecular Formula	C23H27FN4O4
MW	442.49
Aromatic Rings	2
Heavy Atoms	32
NP-Likeness	-1.19

Mechanism of Action

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

Indications

Breast Neoplasms Neoplasms

Activity Summary

Kd 500 meas. best 9.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	9.6	8.4347	0.2	15
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	9.54	9.16	0.3	3
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	9.27	8.5069	0.5	13
Platelet-derived growth factor receptor alpha CHEMBL2007	Kd	8.96	8.96	1.1	2
Vascular endothelial growth factor receptor 2 CHEMBL279	Kd	8.64	8.64	2.3	2
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Kd	8.44	8.44	3.6	2
Hormonally up-regulated neu tumor-associated kinase CHEMBL1795165	Kd	8.43	8.43	3.7	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Kd	8.33	8.33	4.7	2
Serine/threonine-protein kinase 35 CHEMBL5651	Kd	8.09	8.09	8.2	1
Mitogen-activated protein kinase kinase kinase 19 CHEMBL6191	Kd	7.92	7.92	12.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	7.85	7.5971	14.0	7
Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749	Kd	7.82	7.5567	15.0	3
Myosin light chain kinase CHEMBL4627	Kd	7.7	7.54	20.0	2
Serine/threonine-protein kinase 17A CHEMBL4525	Kd	7.62	7.62	24.0	2
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Kd	7.58	7.58	26.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	7.57	7.4167	27.0	3
Myosin light chain kinase family member 4 CHEMBL5426	Kd	7.5	7.5	32.0	2
Tyrosine-protein kinase Fer CHEMBL3982	Kd	7.47	7.47	34.0	2
Serine/threonine-protein kinase Chk2 CHEMBL2527	Kd	7.4	7.4	40.0	1
Myosin light chain kinase, smooth muscle CHEMBL3062	Kd	7.38	7.38	42.0	1
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	7.38	6.87	42.0	2
Cyclin-G-associated kinase CHEMBL4355	Kd	7.36	6.7633	44.0	3
Vascular endothelial growth factor receptor 3 CHEMBL1955	Kd	7.3	7.3	50.0	2
Tyrosine-protein kinase Srms CHEMBL5703	Kd	7.21	7.21	62.0	2
Serine/threonine-protein kinase 3 CHEMBL4708	Kd	7.19	6.75	65.0	3
Serine/threonine-protein kinase ULK2 CHEMBL5435	Kd	7.19	7.19	65.0	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	7.18	7.035	66.0	4
Tyrosine-protein kinase Mer CHEMBL5331	Kd	7.18	7.18	66.0	2
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Kd	7.16	7.15	70.0	2
Misshapen-like kinase 1 CHEMBL5518	Kd	7.16	7.16	69.0	1
Mitogen-activated protein kinase kinase kinase 2 CHEMBL5914	Kd	7.14	7.14	73.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	7.12	7.12	75.0	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Kd	7.11	6.6167	77.0	3
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Kd	7.09	6.295	82.0	2
Serine/threonine-protein kinase ULK1 CHEMBL6006	Kd	7.09	7.09	82.0	1
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform CHEMBL4004	Kd	7.08	7.08	83.0	2
Homeodomain-interacting protein kinase 3 CHEMBL4577	Kd	7.08	7.08	83.0	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Kd	7.08	7.08	84.0	2
TRAF2 and NCK-interacting protein kinase CHEMBL4527	Kd	7.05	7.05	90.0	2
Homeodomain-interacting protein kinase 2 CHEMBL4576	Kd	7.04	7.04	92.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	7.03	7.03	94.0	2
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	7.01	6.5175	97.0	4
Casein kinase II subunit alpha CHEMBL3629	Kd	7.01	6.365	97.0	2
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Kd	7.0	6.6533	100.0	3
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Kd	7.0	6.4667	100.0	3
Serine/threonine-protein kinase 24 CHEMBL5082	Kd	7.0	7.0	100.0	2
Muscle, skeletal receptor tyrosine-protein kinase CHEMBL5684	Kd	7.0	7.0	100.0	2
Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776	Kd	7.0	7.0	100.0	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Kd	6.92	6.6433	120.0	3
SRSF protein kinase 3 CHEMBL5415	Kd	6.92	6.92	120.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mast/stem cell growth factor receptor Kit	Kd	=	0.25	nM	9.6	Binding constant for KIT(V559D,V654A) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	0.25	nM	9.6	Binding constant for KIT(V559D,V654A) kinase domain	18183025
Platelet-derived growth factor receptor beta	Kd	=	0.29	nM	9.54	Binding constant for PDGFRB kinase domain	22037378
Platelet-derived growth factor receptor beta	Kd	=	0.29	nM	9.54	Binding constant for PDGFRB kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	0.29	nM	9.54	Binding constant for KIT(L576P) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	0.51	nM	9.29	Binding constant for KIT(V559D) kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	0.51	nM	9.29	Binding constant for KIT(V559D) kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.54	nM	9.27	Binding constant for FLT3 kinase domain	18183025
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.54	nM	9.27	Binding constant for FLT3 kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	0.56	nM	9.25	Binding constant for KIT(V559D,T670I) kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	0.56	nM	9.25	Binding constant for KIT(V559D,T670I) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	0.68	nM	9.17	Binding constant for KIT kinase domain	18183025
Mast/stem cell growth factor receptor Kit	Kd	=	0.68	nM	9.17	Binding affinity to human KIT incubated for 1 hr by kinase binding assay	21429632
Mast/stem cell growth factor receptor Kit	Kd	=	0.68	nM	9.17	Binding constant for KIT kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.7	nM	9.15	Binding constant for FLT3(K663Q) kinase domain	22037378
Platelet-derived growth factor receptor alpha	Kd	=	1.1	nM	8.96	Binding constant for PDGFRA kinase domain	18183025
Platelet-derived growth factor receptor alpha	Kd	=	1.1	nM	8.96	Binding constant for PDGFRA kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.8	nM	8.74	Binding constant for FLT3(ITD) kinase domain	22037378
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.8	nM	8.74	Binding constant for FLT3(ITD) kinase domain	18183025
Receptor-type tyrosine-protein kinase FLT3	Kd	=	2.0	nM	8.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

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
18183025	10.1038/nbt1358	Epidermal growth factor receptor	10
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
18183025	10.1038/nbt1358	Tyrosine-protein kinase ABL1	7
18183025	10.1038/nbt1358	Receptor-type tyrosine-protein kinase FLT3	5
18183025	10.1038/nbt1358	Mast/stem cell growth factor receptor Kit	5
29191878	10.1126/science.aan4368	Unchecked	4
22037378	10.1038/nbt.1990	Proto-oncogene tyrosine-protein kinase receptor Ret	4
22037378	10.1038/nbt.1990	Hepatocyte growth factor receptor	3
18183025	10.1038/nbt1358	Ribosomal protein S6 kinase alpha-5	2
18183025	10.1038/nbt1358	Vascular endothelial growth factor receptor 2	2
21429632	10.1016/j.ejmech.2011.02.057	Mast/stem cell growth factor receptor Kit	2
18183025	10.1038/nbt1358	Ribosomal protein S6 kinase alpha-6	2
22037378	10.1038/nbt.1990	Non-receptor tyrosine-protein kinase TYK2	2
18183025	10.1038/nbt1358	Ribosomal protein S6 kinase alpha-4	2
22037378	10.1038/nbt.1990	Tyrosine-protein kinase JAK1	2
22037378	10.1038/nbt.1990	Ribosomal protein S6 kinase alpha-1	2

Data from ChEMBL 36 via Core Engine