Compound Detail

CHEMBL1983923

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Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1983923
Phase	Preclinical
Structure Type	MOL
InChI Key	BLQYVHBZHAISJM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

375.5

MW (Da)

3.17

ALogP

HBA

HBD

73.0

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	C21H25N7
MW	375.48
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.30

Activity Summary

Ki 70 meas. best 8.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	8.4	8.4	4.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	8.0	8.0	10.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	7.8	7.8	15.8	1
Aurora kinase A CHEMBL4722	Ki	7.8	7.8	15.8	1
Death-associated protein kinase 3 CHEMBL2468	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.6	7.6	25.1	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	7.6	7.6	25.1	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.6	7.6	25.1	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	7.5	7.5	31.6	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.5	7.5	31.6	1
Activin receptor type-1 CHEMBL5903	Ki	7.5	7.5	31.6	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	7.4	7.4	39.8	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	7.4	7.4	39.8	1
Aurora kinase B CHEMBL2185	Ki	7.3	7.3	50.1	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.2	7.2	63.1	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	7.2	7.2	63.1	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	7.2	7.2	63.1	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.2	7.2	63.1	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	7.0	7.0	100.0	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	7.0	7.0	100.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.8	6.8	158.5	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	Ki	6.8	6.8	158.5	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Ki	6.7	6.7	199.5	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.7	6.7	199.5	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	6.7	6.7	199.5	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.7	6.7	199.5	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	6.6	6.6	251.2	1
LIM domain kinase 1 CHEMBL3836	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	6.5	6.5	316.2	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	6.5	6.5	316.2	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.4	6.4	398.1	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	6.4	6.4	398.1	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase BTK CHEMBL5251	Ki	6.3	6.3	501.2	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	6.3	6.3	501.2	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.3	6.3	501.2	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.3	6.3	501.2	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.3	6.3	501.2	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Ki	6.2	6.2	631.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	6.2	6.2	631.0	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.1	6.1	794.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase Src	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 1	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activin receptor type-1	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor alpha	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 7	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Blk	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine