Compound Detail

CHEMBL518051

SNS-314 MESYLATE

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL518051
Name	SNS-314 MESYLATE
Phase	Preclinical
Structure Type	MOL
InChI Key	FYCODPVDEFFWSR-UHFFFAOYSA-N
Parent Compound	CHEMBL482767
Active Moiety	CHEMBL482767

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

430.9

MW (Da)

5.10

ALogP

HBA

HBD

91.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 11 meas. best 8.3

EC50 3 meas. best 8.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	8.3	8.3	5.0	1
HCT-116 CHEMBL394	EC50	8.22	8.22	6.0	3
Aurora kinase A CHEMBL4722	IC50	8.05	8.05	9.0	2
High affinity nerve growth factor receptor CHEMBL2815	IC50	7.92	7.92	12.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	7.85	7.85	14.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	7.82	7.82	15.0	1
Aurora kinase B CHEMBL2185	IC50	7.51	7.51	31.0	2
Discoidin domain-containing receptor 2 CHEMBL5122	IC50	7.09	7.09	82.0	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	IC50	7.08	7.08	84.0	1
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	7.0	7.0	100.0	1

Parameter	Value	Units	Species
AUC	1910.0	ng.hr.mL-1	Rattus norvegicus
AUC	2200.0	ng.hr.mL-1	Rattus norvegicus
CL	48.0	mL.min-1.kg-1	Mus musculus
F	44.0	%	Rattus norvegicus
T1/2	2.1	hr	Rattus norvegicus
T1/2	1.4	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
BDNF/NT-3 growth factors receptor	IC50	=	5.0	nM	8.3	Inhibition of TrkB by radiometric assay	18678489
HCT-116	EC50	=	6.0	nM	8.22	Antiproliferative activity against human HCT116 cells assessed as BrdU incorpora...	18678489
HCT-116	EC50	=	6.0	nM	8.22	Antiproliferative activity against human HCT116 cells assessed as BrdU incorpora...	19320489
HCT-116	EC50	=	6.0	nM	8.22	Antiproliferative activity against human HCT116 cells by BrdU incorporation assa...	19646866
Aurora kinase A	IC50	=	9.0	nM	8.05	Inhibition of Aurora A by radiometric assay	18678489
Aurora kinase A	IC50	=	9.0	nM	8.05	Inhibition of Aurora A after 60 mins	19646866
High affinity nerve growth factor receptor	IC50	=	12.0	nM	7.92	Inhibition of TrkA by radiometric assay	18678489
Vascular endothelial growth factor receptor 3	IC50	=	14.0	nM	7.85	Inhibition of Flt4 by radiometric assay	18678489
Macrophage colony-stimulating factor 1 receptor	IC50	=	15.0	nM	7.82	Inhibition of Fms by radiometric assay	18678489
Aurora kinase B	IC50	=	31.0	nM	7.51	Inhibition of Aurora B by radiometric assay	18678489
Aurora kinase B	IC50	=	31.0	nM	7.51	Inhibition of Aurora B after 60 mins	19646866
Discoidin domain-containing receptor 2	IC50	=	82.0	nM	7.09	Inhibition of DDR2 by radiometric assay	18678489
Tyrosine-protein kinase receptor UFO	IC50	=	84.0	nM	7.08	Inhibition of Axl by radiometric assay	18678489
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	100.0	nM	7.0	Inhibition of c-Raf by radiometric assay	18678489

PubMed	DOI	Target Context	# Activities
18678489	10.1016/j.bmcl.2008.07.073	HCT-116	4
18678489	10.1016/j.bmcl.2008.07.073	ADMET	4
33691794	10.1186/s13148-021-01037-1	A549	4
19186057	10.1016/j.bmcl.2009.01.043	Rattus norvegicus	4
18678489	10.1016/j.bmcl.2008.07.073	Mus musculus	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
19646866	10.1016/j.bmcl.2009.07.016	HCT-116	2
19646866	10.1016/j.bmcl.2009.07.016	Mus musculus	2
18678489	10.1016/j.bmcl.2008.07.073	Macrophage colony-stimulating factor 1 receptor	1
18678489	10.1016/j.bmcl.2008.07.073	Discoidin domain-containing receptor 2	1
18678489	10.1016/j.bmcl.2008.07.073	RAF proto-oncogene serine/threonine-protein kinase	1
18678489	10.1016/j.bmcl.2008.07.073	BDNF/NT-3 growth factors receptor	1
18678489	10.1016/j.bmcl.2008.07.073	Vascular endothelial growth factor receptor 3	1
19186057	10.1016/j.bmcl.2009.01.043	No relevant target	1
19320489	10.1021/jm8012129	HCT-116	1
19646866	10.1016/j.bmcl.2009.07.016	Aurora kinase B	1
19646866	10.1016/j.bmcl.2009.07.016	Aurora kinase A	1
18678489	10.1016/j.bmcl.2008.07.073	High affinity nerve growth factor receptor	1
18678489	10.1016/j.bmcl.2008.07.073	Tyrosine-protein kinase receptor UFO	1
18678489	10.1016/j.bmcl.2008.07.073	Aurora kinase B	1

Data from ChEMBL 36 via Core Engine