Compound Detail

CHEMBL1990482

Enter ChEMBL ID:

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

NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1990482
Phase	Preclinical
Structure Type	MOL
InChI Key	CZIGMBNEFWBEMD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

238.2

MW (Da)

1.72

ALogP

HBA

HBD

84.7

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C13H10N4O
MW	238.25
Aromatic Rings	3
Heavy Atoms	18
NP-Likeness	-0.92

Activity Summary

Ki 39 meas. best 7.6

IC50 2 meas. best 7.19

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	7.6	7.6	25.1	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	7.52	7.44	30.0	3
Serine/threonine-protein kinase N2 CHEMBL3032	IC50	7.19	7.19	64.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.1	7.1	79.4	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	6.9	6.9	125.9	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	6.8	6.8	158.5	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	6.7	6.7	199.5	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.7	6.7	199.5	1
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	6.5	6.5	316.2	1
Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896	Ki	6.4	6.4	398.1	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.4	6.4	398.1	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase N1 CHEMBL3384	Ki	6.27	6.27	540.0	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	6.0	6.0	1000.0	1
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	6.0	6.0	1000.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase N1 CHEMBL3384	IC50	5.96	5.96	1100.0	1
Protein kinase C zeta type CHEMBL3438	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	5.7	5.7	1995.3	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Ki	5.7	5.7	1995.3	1
Casein kinase I isoform delta CHEMBL2828	Ki	5.7	5.7	1995.3	1
Aurora kinase B CHEMBL2185	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	5.6	5.6	2511.9	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	5.5	5.5	3162.3	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	5.5	5.5	3162.3	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	5.4	5.4	3981.1	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	5.4	5.4	3981.1	1
Mitogen-activated protein kinase 13 CHEMBL2939	Ki	5.3	5.3	5011.9	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	5.3	5.3	5011.9	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	5.3	5.3	5011.9	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	5.3	5.3	5011.9	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	5.2	5.2	6309.6	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	5.2	5.2	6309.6	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	5.2	5.2	6309.6	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase BRSK1	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N2	Ki	=	30.0	nM	7.52	Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay	32085971
Serine/threonine-protein kinase N2	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N2	Ki	=	40.0	nM	7.4	Inhibition of His/GST-tagged PKN2 (unknown origin) using biotinylated peptide as...	32085971
Serine/threonine-protein kinase N2	IC50	=	64.0	nM	7.19	Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay	32085971
Dual specificity protein kinase CLK4	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 17A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-interacting serine/threonine-protein kinase 2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit PRKX	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 1	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Lymphokine-activated killer T-cell-originated protein kinase	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N1	Ki	=	540.0	nM	6.27	Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay	32085971
cGMP-dependent protein kinase 2	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N1	IC50	=	1100.0	nM	5.96	Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay	32085971

Literature References

PubMed	DOI	Target Context	# Activities
32085971	10.1016/j.bmcl.2020.127040	Serine/threonine-protein kinase N2	3
32085971	10.1016/j.bmcl.2020.127040	Serine/threonine-protein kinase N1	3
32085971	10.1016/j.bmcl.2020.127040	Dual specificity protein kinase CLK4	1
32085971	10.1016/j.bmcl.2020.127040	Unchecked	1

Data from ChEMBL 36 via Core Engine