Compound Detail

CHEMBL1974328

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Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1974328
Phase	Preclinical
Structure Type	MOL
InChI Key	JZTOUVBEZONDKA-UHFFFAOYSA-N

105

Targets

105

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

340.4

MW (Da)

2.31

ALogP

HBA

HBD

119.0

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C18H24N6O
MW	340.43
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-0.98

Activity Summary

Ki 105 meas. best 8.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase Fer CHEMBL3982	Ki	8.5	8.5	3.2	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	8.3	8.3	5.0	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	8.2	8.2	6.3	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	8.0	8.0	10.0	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	8.0	8.0	10.0	1
Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896	Ki	8.0	8.0	10.0	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	8.0	8.0	10.0	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	8.0	8.0	10.0	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	7.9	7.9	12.6	1
Serine/threonine-protein kinase SIK2 CHEMBL5699	Ki	7.8	7.8	15.8	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	7.7	7.7	19.9	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.7	7.7	19.9	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	7.6	7.6	25.1	1
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	7.4	7.4	39.8	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	7.3	7.3	50.1	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.3	7.3	50.1	1
Protein kinase C gamma type CHEMBL2938	Ki	7.2	7.2	63.1	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.2	7.2	63.1	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	7.2	7.2	63.1	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	7.2	7.2	63.1	1
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	7.2	7.2	63.1	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.1	7.1	79.4	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.1	7.1	79.4	1
Testis-specific serine/threonine-protein kinase 1 CHEMBL6003	Ki	7.1	7.1	79.4	1
Testis-specific serine/threonine-protein kinase 2 CHEMBL6014	Ki	7.1	7.1	79.4	1
Death-associated protein kinase 3 CHEMBL2468	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	7.0	7.0	100.0	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	Ki	7.0	7.0	100.0	1
Misshapen-like kinase 1 CHEMBL5518	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	6.9	6.9	125.9	1
Mitogen-activated protein kinase kinase kinase 10 CHEMBL2873	Ki	6.9	6.9	125.9	1
Protein kinase C delta type CHEMBL2996	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.9	6.9	125.9	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.9	6.9	125.9	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	6.8	6.8	158.5	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	6.8	6.8	158.5	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.8	6.8	158.5	1
Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284	Ki	6.8	6.8	158.5	1
Insulin-like growth factor 1 receptor CHEMBL1957	Ki	6.7	6.7	199.5	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase HCK CHEMBL3234	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.6	6.6	251.2	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	6.6	6.6	251.2	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.6	6.6	251.2	1
MAP/microtubule affinity-regulating kinase 4 CHEMBL5754	Ki	6.6	6.6	251.2	1
Focal adhesion kinase 1 CHEMBL2695	Ki	6.5	6.5	316.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase Fer	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
STE20-like serine/threonine-protein kinase	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	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Lymphokine-activated killer T-cell-originated protein kinase	Ki	=	10.0	nM	8.0	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...	-
Serine/threonine-protein kinase pim-3	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PAK 4	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leucine-rich repeat serine/threonine-protein kinase 2	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase SIK2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 5	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
3-phosphoinositide-dependent protein kinase 1	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 4	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C gamma type	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cell division cycle 7-related protein kinase	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine