Compound Detail

CHEMBL1974870

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Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1974870
Phase	Preclinical
Structure Type	MOL
InChI Key	NJPWCTYVEJIQBM-UHFFFAOYSA-N

Targets

105

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

392.9

MW (Da)

4.54

ALogP

HBA

HBD

76.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C22H21ClN4O
MW	392.89
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-1.23

Activity Summary

Ki 105 meas. best 9.1

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	9.1	9.1	0.8	2
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	9.0	9.0	1.0	1
Cyclin-dependent kinase 8 CHEMBL5719	Ki	8.8	8.8	1.6	2
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	8.4	8.4	4.0	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	8.4	8.4	4.0	2
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	8.3	8.3	5.0	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Ki	8.3	8.3	5.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	8.3	8.3	5.0	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	8.3	8.3	5.0	2
Protein kinase C gamma type CHEMBL2938	Ki	8.2	8.2	6.3	1
Serine/threonine-protein kinase MRCK alpha CHEMBL4516	Ki	8.1	8.1	7.9	2
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	8.0	8.0	10.0	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	Ki	8.0	8.0	10.0	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	8.0	8.0	10.0	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	8.0	8.0	10.0	2
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	8.0	8.0	10.0	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.9	7.9	12.6	2
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	7.9	7.9	12.6	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	7.8	7.8	15.8	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	7.8	7.8	15.8	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	7.7	7.7	19.9	2
Misshapen-like kinase 1 CHEMBL5518	Ki	7.6	7.6	25.1	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.6	7.6	25.1	2
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	7.5	7.5	31.6	1
Casein kinase I isoform delta CHEMBL2828	Ki	7.5	7.5	31.6	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	7.4	7.4	39.8	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.4	7.4	39.8	2
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	7.3	7.3	50.1	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	7.2	7.2	63.1	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.2	7.2	63.1	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	7.2	7.2	63.1	2
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	7.1	7.1	79.4	1
Death-associated protein kinase 3 CHEMBL2468	Ki	7.1	7.1	79.4	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	7.1	7.1	79.4	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	7.1	7.1	79.4	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	7.1	7.1	79.4	1
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	7.1	7.1	79.4	1
Testis-specific serine/threonine-protein kinase 1 CHEMBL6003	Ki	7.0	7.0	100.0	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	7.0	7.0	100.0	2
Calcium/calmodulin-dependent protein kinase type 1 CHEMBL2493	Ki	7.0	7.0	100.0	2
Casein kinase I isoform alpha CHEMBL2793	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	6.8	6.8	158.5	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.8	6.8	158.5	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.8	6.8	158.5	1
Aurora kinase B CHEMBL2185	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	6.6	6.6	251.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cell division cycle 7-related protein kinase	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cell division cycle 7-related protein kinase	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit PRKX	Ki	=	1.0	nM	9.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 8	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 8	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit gamma	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit gamma	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-gamma serine/threonine-protein kinase	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-gamma serine/threonine-protein kinase	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-5	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C gamma type	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase MRCK alpha	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase MRCK alpha	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
5'-AMP-activated protein kinase catalytic subunit alpha-1	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-2	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...	-
RAC-beta serine/threonine-protein kinase	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine