Compound Detail

CHEMBL1978448

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CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1978448
Phase	Preclinical
Structure Type	MOL
InChI Key	MIKAKZKNMYZLDX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

331.4

MW (Da)

1.70

ALogP

HBA

HBD

74.7

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C16H17N3O3S
MW	331.40
Aromatic Rings	3
Heavy Atoms	23
NP-Likeness	-1.66

Activity Summary

Ki 52 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MAP kinase-activated protein kinase 5 CHEMBL3094	Ki	8.0	8.0	10.0	1
Serine/threonine-protein kinase PLK1 CHEMBL3024	Ki	8.0	8.0	10.0	1
Serine/threonine-protein kinase PLK3 CHEMBL4897	Ki	7.8	7.8	15.8	1
Casein kinase II subunit alpha CHEMBL3629	Ki	7.8	7.8	15.8	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	Ki	7.5	7.5	31.6	1
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	7.5	7.5	31.6	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	7.4	7.4	39.8	1
Testis-specific serine/threonine-protein kinase 2 CHEMBL6014	Ki	7.4	7.4	39.8	1
MAP kinase-activated protein kinase 3 CHEMBL4670	Ki	7.3	7.3	50.1	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	7.3	7.3	50.1	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.2	7.2	63.1	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	7.1	7.1	79.4	1
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	7.1	7.1	79.4	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Ki	7.1	7.1	79.4	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	7.1	7.1	79.4	1
Megakaryocyte-associated tyrosine-protein kinase CHEMBL4175	Ki	7.1	7.1	79.4	1
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase Fes/Fps CHEMBL5455	Ki	6.8	6.8	158.5	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	6.8	6.8	158.5	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	6.8	6.8	158.5	1
Casein kinase I isoform gamma-3 CHEMBL5084	Ki	6.8	6.8	158.5	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	6.7	6.7	199.5	1
SRSF protein kinase 1 CHEMBL4375	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.7	6.7	199.5	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	6.6	6.6	251.2	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	6.6	6.6	251.2	1
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	6.6	6.6	251.2	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase 13 CHEMBL2939	Ki	6.6	6.6	251.2	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	6.6	6.6	251.2	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase 12 CHEMBL4674	Ki	6.5	6.5	316.2	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	6.3	6.3	501.2	1
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	6.3	6.3	501.2	1
Epidermal growth factor receptor CHEMBL203	Ki	6.3	6.3	501.2	1
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase Srms CHEMBL5703	Ki	6.2	6.2	631.0	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	6.1	6.1	794.3	1
Protein kinase C gamma type CHEMBL2938	Ki	5.9	5.9	1258.9	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	5.9	5.9	1258.9	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	5.8	5.8	1584.9	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	5.8	5.8	1584.9	1
Protein-tyrosine kinase 6 CHEMBL4601	Ki	5.7	5.7	1995.3	1
Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase MRCK alpha CHEMBL4516	Ki	5.7	5.7	1995.3	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	5.7	5.7	1995.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase PLK1	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-activated protein kinase 5	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK3	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase II subunit alpha	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor tyrosine-protein kinase erbB-2	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-alpha serine/threonine-protein kinase	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 4	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Testis-specific serine/threonine-protein kinase 2	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase ROS	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-activated protein kinase 3	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-activated protein kinase 2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
3-phosphoinositide-dependent protein kinase 1	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-beta serine/threonine-protein kinase	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-gamma serine/threonine-protein kinase	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Megakaryocyte-associated tyrosine-protein kinase	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cell division cycle 7-related protein kinase	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fes/Fps	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine