Compound Detail

CHEMBL1983640

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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1983640
Phase	Preclinical
Structure Type	MOL
InChI Key	GJKVMXDBPDDFHI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

499.6

MW (Da)

4.85

ALogP

HBA

HBD

105.7

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C28H26FN5O3
MW	499.55
Aromatic Rings	4
Heavy Atoms	37
NP-Likeness	-1.46

Activity Summary

Ki 32 meas. best 8.9

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.9	8.9	1.3	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	8.7	8.7	2.0	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	8.5	8.5	3.2	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	8.3	8.3	5.0	1
Cyclin-dependent kinase 8 CHEMBL5719	Ki	8.1	8.1	7.9	1
Aurora kinase B CHEMBL2185	Ki	8.0	8.0	10.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.8	7.8	15.8	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.7	7.7	19.9	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.4	7.4	39.8	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	7.3	7.3	50.1	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.3	7.3	50.1	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	Ki	7.0	7.0	100.0	1
Aurora kinase A CHEMBL4722	Ki	6.9	6.9	125.9	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	6.8	6.8	158.5	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.6	6.6	251.2	1
Focal adhesion kinase 1 CHEMBL2695	Ki	6.5	6.5	316.2	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.4	6.4	398.1	1
Mitogen-activated protein kinase 14 CHEMBL260	Ki	6.3	6.3	501.2	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.3	6.3	501.2	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.2	6.2	631.0	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.2	6.2	631.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.2	6.2	631.0	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	5.8	5.8	1584.9	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	5.7	5.7	1995.3	1
Tyrosine-protein kinase BTK CHEMBL5251	Ki	5.7	5.7	1995.3	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	5.3	5.3	5011.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	1.995	nM	8.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor alpha	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 8	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 1	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
BDNF/NT-3 growth factors receptor	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Nek2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Hepatocyte growth factor receptor	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor TYRO3	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Focal adhesion kinase 1	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Inhibitor of nuclear factor kappa-B kinase subunit epsilon	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine