Compound Detail

CHEMBL2006933

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CSc1cnc2c(ccc3cnccc32)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2006933
Phase	Preclinical
Structure Type	MOL
InChI Key	CFBADDSSFSYJPF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

242.3

MW (Da)

3.21

ALogP

HBA

HBD

46.0

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C13H10N2OS
MW	242.30
Aromatic Rings	3
Heavy Atoms	17
NP-Likeness	-0.51

Activity Summary

Ki 36 meas. best 7.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	7.7	7.7	19.9	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.0	7.0	100.0	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.9	6.9	125.9	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.9	6.9	125.9	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.9	6.9	125.9	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.8	6.8	158.5	1
Death-associated protein kinase 3 CHEMBL2468	Ki	6.6	6.6	251.2	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	6.4	6.4	398.1	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.4	6.4	398.1	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.3	6.3	501.2	1
Casein kinase II subunit alpha CHEMBL3629	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.2	6.2	631.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.2	6.2	631.0	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.1	6.1	794.3	1
Protein kinase C delta type CHEMBL2996	Ki	6.1	6.1	794.3	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.1	6.1	794.3	1
Aurora kinase A CHEMBL4722	Ki	6.1	6.1	794.3	1
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	6.1	6.1	794.3	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	6.0	6.0	1000.0	1
Protein kinase C zeta type CHEMBL3438	Ki	6.0	6.0	1000.0	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	6.0	6.0	1000.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	5.9	5.9	1258.9	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	5.8	5.8	1584.9	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	5.8	5.8	1584.9	1
Aurora kinase B CHEMBL2185	Ki	5.7	5.7	1995.3	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase MRCK alpha CHEMBL4516	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase PLK3 CHEMBL4897	Ki	5.6	5.6	2511.9	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	5.6	5.6	2511.9	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	5.6	5.6	2511.9	1
LIM domain kinase 1 CHEMBL3836	Ki	5.5	5.5	3162.3	1
Mitogen-activated protein kinase 12 CHEMBL4674	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase PLK1 CHEMBL3024	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	5.4	5.4	3981.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 1	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Sgk2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase beta-1	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase II subunit alpha	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D2	Ki	=	630.96	nM	6.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	630.96	nM	6.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-alpha serine/threonine-protein kinase	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C delta type	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform delta	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine