Compound Detail

CHEMBL403776

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CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL403776
Phase	Preclinical
Structure Type	MOL
InChI Key	KLHJDCUHOKZNOP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

523.6

MW (Da)

2.90

ALogP

HBA

HBD

109.4

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 9.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	9.1	8.6	0.8	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	9.0	9.0	1.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL5570	IC50	8.05	8.05	9.0	1
Macrophage CHEMBL612578	IC50	8.05	8.05	9.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	7.7	7.7	20.0	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	6.77	6.77	170.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.23	5.23	5900.0	1

Parameter	Value	Units	Species
CL	25.0	mL.min-1.kg-1	Rattus norvegicus
F	-	%	Rattus norvegicus
T1/2	7.0	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	0.8	nM	9.1	Inhibition of Fms by fluorescence polarization competition immunoassay	19193011
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1.0	nM	9.0	Inhibition of FLT3 by fluorescence polarization competition immunoassay	19193011
Macrophage colony-stimulating factor 1 receptor	IC50	=	8.0	nM	8.1	Inhibition of ATP-induced CSF1R autophosphorylation	18342505
Macrophage	IC50	=	9.0	nM	8.05	Inhibition of CSF1-induced proliferation of mouse bone marrow derived macrophage...	18342505
Macrophage colony-stimulating factor 1 receptor	IC50	=	9.0	nM	8.05	Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox...	19193011
Mast/stem cell growth factor receptor Kit	IC50	=	20.0	nM	7.7	Inhibition of KIT by fluorescence polarization competition immunoassay	19193011
High affinity nerve growth factor receptor	IC50	=	170.0	nM	6.77	Inhibition of TrkA by fluorescence polarization competition immunoassay	19193011
Proto-oncogene tyrosine-protein kinase Src	IC50	=	5900.0	nM	5.23	Inhibition of Src by fluorescence polarization competition immunoassay	19193011

PubMed	DOI	Target Context	# Activities
19193011	10.1021/jm801406h	Rattus norvegicus	4
18342505	10.1016/j.bmcl.2008.02.070	Liver microsomes	2
19193011	10.1021/jm801406h	Macrophage colony-stimulating factor 1 receptor	2
18342505	10.1016/j.bmcl.2008.02.070	Macrophage colony-stimulating factor 1 receptor	1
18342505	10.1016/j.bmcl.2008.02.070	Macrophage	1
19193011	10.1021/jm801406h	Mast/stem cell growth factor receptor Kit	1
19193011	10.1021/jm801406h	Receptor-type tyrosine-protein kinase FLT3	1
19193011	10.1021/jm801406h	Liver microsomes	1
19193011	10.1021/jm801406h	High affinity nerve growth factor receptor	1
19193011	10.1021/jm801406h	Proto-oncogene tyrosine-protein kinase Src	1
19193011	10.1021/jm801406h	Tyrosine-protein kinase receptor UFO	1
19193011	10.1021/jm801406h	Platelet-derived growth factor receptor beta	1
19193011	10.1021/jm801406h	Insulin receptor	1

Data from ChEMBL 36 via Core Engine