Compound Detail

CHEMBL2158230

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N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2158230
Phase	Preclinical
Structure Type	MOL
InChI Key	MVPRWLBKNHWFPM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

488.6

MW (Da)

4.00

ALogP

HBA

HBD

97.3

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 12 meas. best 8.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.96	8.96	1.1	2
Macrophage colony-stimulating factor 1 receptor CHEMBL5570	IC50	8.49	8.49	3.2	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	IC50	8.22	8.22	6.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.1	7.87	8.0	2
High affinity nerve growth factor receptor CHEMBL2815	IC50	7.72	7.72	19.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	7.64	7.4	23.0	3
Tyrosine-protein kinase Lck CHEMBL258	IC50	6.7	6.7	200.0	1
Cytochrome P450 3A4 CHEMBL340	IC50	5.42	5.42	3800.0	1

Parameter	Value	Units	Species
AUC	1552.88	ng.hr.mL-1	Mus musculus
CL	46.6	mL.min-1.kg-1	Mus musculus
Cmax	943.43	nM	Mus musculus
F	101.0	%	Mus musculus
T1/2	0.23	hr	Mus musculus
T1/2	2.37	hr	Mus musculus
Vd	8.99	L.kg-1	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.1	nM	8.96	Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft...	22039836
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.1	nM	8.96	Inhibition of FMS	22039836
Macrophage colony-stimulating factor 1 receptor	IC50	=	3.2	nM	8.49	Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived ...	22039836
Tyrosine-protein kinase receptor UFO	IC50	=	6.0	nM	8.22	Inhibition of AXL	22039836
Receptor-type tyrosine-protein kinase FLT3	IC50	=	8.0	nM	8.1	Inhibition of FLT3 in human MV411 cells assessed as inhibition of cell prolifera...	22039836
High affinity nerve growth factor receptor	IC50	=	19.0	nM	7.72	Inhibition of TRKA	22039836
Mast/stem cell growth factor receptor Kit	IC50	=	23.0	nM	7.64	Inhibition of KIT	22039836
Receptor-type tyrosine-protein kinase FLT3	IC50	=	23.0	nM	7.64	Inhibition of FLT3	22039836
Mast/stem cell growth factor receptor Kit	IC50	=	52.0	nM	7.28	Fluorescence Polarization Kinase Assay: The compounds of the present invention a...	-
Mast/stem cell growth factor receptor Kit	IC50	=	52.0	nM	7.28	Fluorescence Polarization Kinase Assay: The compounds of the present invention a...	-
Tyrosine-protein kinase Lck	IC50	=	200.0	nM	6.7	Inhibition of LCK	22039836
Cytochrome P450 3A4	IC50	=	3800.0	nM	5.42	Inhibition of CYP3A4	22039836

PubMed	DOI	Target Context	# Activities
22039836	10.1021/jm200900q	Mus musculus	25
22039836	10.1021/jm200900q	Unchecked	4
22039836	10.1021/jm200900q	Macrophage colony-stimulating factor 1 receptor	3
22039836	10.1021/jm200900q	Mast/stem cell growth factor receptor Kit	2
22039836	10.1021/jm200900q	Tyrosine-protein kinase receptor UFO	2
22039836	10.1021/jm200900q	High affinity nerve growth factor receptor	2
22039836	10.1021/jm200900q	Receptor-type tyrosine-protein kinase FLT3	2
22039836	10.1021/jm200900q	Tyrosine-protein kinase Lck	2
22039836	10.1021/jm200900q	Liver microsomes	1
22039836	10.1021/jm200900q	Cytochrome P450 1A2	1
22039836	10.1021/jm200900q	Cytochrome P450 2C9	1
22039836	10.1021/jm200900q	Cytochrome P450 2C19	1
22039836	10.1021/jm200900q	Cytochrome P450 3A4	1
22039836	10.1021/jm200900q	Voltage-gated inwardly rectifying potassium channel KCNH2	1
22039836	10.1021/jm200900q	No relevant target	1
22039836	10.1021/jm200900q	Liver	1

Data from ChEMBL 36 via Core Engine