Compound Detail

CHEMBL2007421

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CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2007421
Phase	Preclinical
Structure Type	MOL
InChI Key	LBVKEEFIPBQIMD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

391.8

MW (Da)

4.09

ALogP

HBA

HBD

100.6

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C17H19ClFN7O
MW	391.84
Aromatic Rings	3
Heavy Atoms	27
NP-Likeness	-1.49

Activity Summary

Ki 34 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	9.0	9.0	1.0	1
NT-3 growth factor receptor CHEMBL5608	Ki	8.8	8.8	1.6	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	8.4	8.4	4.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.6	7.6	25.1	1
Activated CDC42 kinase 1 CHEMBL4599	Ki	7.6	7.6	25.1	1
Focal adhesion kinase 1 CHEMBL2695	Ki	7.5	7.5	31.6	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	7.5	7.5	31.6	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.4	7.4	39.8	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.0	7.0	100.0	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	6.9	6.9	125.9	1
Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073	Ki	6.8	6.8	158.5	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.8	6.8	158.5	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	6.7	6.7	199.5	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.5	6.5	316.2	1
Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147	Ki	6.5	6.5	316.2	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.4	6.4	398.1	1
Protein kinase C theta type CHEMBL3920	Ki	6.3	6.3	501.2	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	6.3	6.3	501.2	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.3	6.3	501.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.3	6.3	501.2	1
Aurora kinase A CHEMBL4722	Ki	6.2	6.2	631.0	1
Casein kinase I isoform alpha CHEMBL2793	Ki	6.0	6.0	1000.0	1
Tyrosine-protein kinase BTK CHEMBL5251	Ki	6.0	6.0	1000.0	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	6.0	6.0	1000.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	Ki	5.9	5.9	1258.9	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	5.8	5.8	1584.9	1
Activin receptor type-1 CHEMBL5903	Ki	5.8	5.8	1584.9	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	5.7	5.7	1995.3	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	5.7	5.7	1995.3	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	5.6	5.6	2511.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
BDNF/NT-3 growth factors receptor	Ki	=	1.0	nM	9.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activated CDC42 kinase 1	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Focal adhesion kinase 1	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
ALK tyrosine kinase receptor	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
5'-AMP-activated protein kinase catalytic subunit alpha-1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type 1D	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage-stimulating protein receptor	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit alpha	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 7	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fyn	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C theta type	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine