Compound Detail

CHEMBL482767

SNS-314

Phase I

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Phase I

O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL482767
Name	SNS-314
Phase	Phase I
Structure Type	MOL
InChI Key	FAYAUAZLLLJJGH-UHFFFAOYSA-N

Known Names

Sns 314 Sns-314

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

430.9

MW (Da)

5.10

ALogP

HBA

HBD

91.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C18H15ClN6OS2
MW	430.95
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-2.59

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase Aurora inhibitor	INHIBITOR	Serine/threonine-protein kinase Aurora	✓	✓

Indications

Neoplasms

Activity Summary

Ki 40 meas. best 8.8

Kd 5 meas. best 7.58

IC50 3 meas. best 8.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cyclin-dependent kinase 8 CHEMBL5719	Ki	8.8	8.8	1.6	1
Aurora kinase C CHEMBL3935	IC50	8.52	8.52	3.0	1
NT-3 growth factor receptor CHEMBL5608	Ki	8.3	8.3	5.0	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	8.2	8.2	6.3	1
Aurora kinase A CHEMBL4722	IC50	8.05	8.05	9.0	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	7.8	7.8	15.8	1
Peroxisomal acyl-coenzyme A oxidase 3 CHEMBL4105817	Kd	7.58	7.58	26.0	1
Aurora kinase B CHEMBL2185	IC50	7.51	7.51	31.0	1
Aurora kinase A CHEMBL4722	Ki	7.4	7.4	39.8	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	7.3	7.3	50.1	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	7.3	7.3	50.1	1
Aurora kinase A CHEMBL4722	Kd	6.93	6.93	118.0	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	6.9	6.9	125.9	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	6.85	6.85	140.0	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.8	6.8	158.5	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.8	6.8	158.5	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.7	6.7	199.5	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	6.6	6.6	251.2	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	6.6	6.6	251.2	1
Aurora kinase B CHEMBL2185	Kd	6.59	6.59	257.0	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.5	6.5	316.2	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	6.4	6.4	398.1	1
Ephrin type-A receptor 2 CHEMBL2068	Ki	6.4	6.4	398.1	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.4	6.4	398.1	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	6.37	6.37	423.0	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.3	6.3	501.2	1
Focal adhesion kinase 1 CHEMBL2695	Ki	6.3	6.3	501.2	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.2	6.2	631.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.2	6.2	631.0	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase 13 CHEMBL2939	Ki	6.1	6.1	794.3	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	5.9	5.9	1258.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	5.9	5.9	1258.9	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	5.9	5.9	1258.9	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	5.9	5.9	1258.9	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	5.8	5.8	1584.9	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	5.7	5.7	1995.3	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	5.7	5.7	1995.3	1
Misshapen-like kinase 1 CHEMBL5518	Ki	5.6	5.6	2511.9	1
SRSF protein kinase 1 CHEMBL4375	Ki	5.5	5.5	3162.3	1
Cyclin-dependent kinase 19 CHEMBL6002	Ki	5.4	5.4	3981.1	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	5.2	5.2	6309.6	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	5.2	5.2	6309.6	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.1	5.1	7943.3	1
Protein kinase C delta type CHEMBL2996	Ki	5.1	5.1	7943.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cyclin-dependent kinase 8	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase C	IC50	=	3.0	nM	8.52	Inhibition of AURC (unknown origin)	35167283
NT-3 growth factor receptor	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 4	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	IC50	=	9.0	nM	8.05	Inhibition of AURA (unknown origin)	35167283
BDNF/NT-3 growth factors receptor	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Peroxisomal acyl-coenzyme A oxidase 3	Kd	=	26.0	nM	7.58	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Aurora kinase B	IC50	=	31.0	nM	7.51	Inhibition of AURB (unknown origin)	35167283
Aurora kinase A	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-interacting serine/threonine-protein kinase 2	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Kd	=	118.0	nM	6.93	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase Chk2	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Epithelial discoidin domain-containing receptor 1	Kd	=	140.0	nM	6.85	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase FRK	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase beta-1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Nek4	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 4	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
29191878	10.1126/science.aan4368	Actin-related protein 3	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	Activin receptor type-1	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
35167283	10.1021/acs.jmedchem.1c01031	Aurora kinase C	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 11	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