Compound Detail

CHEMBL1993424

Enter ChEMBL ID:

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

NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1993424
Phase	Preclinical
Structure Type	MOL
InChI Key	AIQDZMUPVYDVLB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

379.4

MW (Da)

2.87

ALogP

HBA

HBD

102.9

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C19H17N5O2S
MW	379.45
Aromatic Rings	4
Heavy Atoms	27
NP-Likeness	-1.66

Activity Summary

Ki 71 meas. best 8.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NT-3 growth factor receptor CHEMBL5608	Ki	8.3	8.3	5.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	8.3	8.3	5.0	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	8.1	8.1	7.9	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	8.1	8.1	7.9	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	8.0	8.0	10.0	1
Aurora kinase B CHEMBL2185	Ki	7.8	7.8	15.8	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.6	7.6	25.1	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.4	7.4	39.8	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	7.2	7.2	63.1	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	7.2	7.2	63.1	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	7.2	7.2	63.1	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	7.1	7.1	79.4	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.1	7.1	79.4	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.1	7.1	79.4	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	7.0	7.0	100.0	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.0	7.0	100.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.0	7.0	100.0	1
Aurora kinase A CHEMBL4722	Ki	6.9	6.9	125.9	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.8	6.8	158.5	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Ki	6.8	6.8	158.5	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	6.8	6.8	158.5	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	6.7	6.7	199.5	1
Ephrin type-A receptor 2 CHEMBL2068	Ki	6.7	6.7	199.5	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.7	6.7	199.5	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	6.5	6.5	316.2	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.5	6.5	316.2	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.5	6.5	316.2	1
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.4	6.4	398.1	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.4	6.4	398.1	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	6.3	6.3	501.2	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.3	6.3	501.2	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.3	6.3	501.2	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	6.3	6.3	501.2	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.2	6.2	631.0	1
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	6.1	6.1	794.3	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	6.0	6.0	1000.0	1
Tyrosine-protein kinase Srms CHEMBL5703	Ki	6.0	6.0	1000.0	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	5.9	5.9	1258.9	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	5.9	5.9	1258.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NT-3 growth factor receptor	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase ROS	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK3	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lyn	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase Src	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fyn	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase SYK	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
ALK tyrosine kinase receptor	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine