Compound Detail

CHEMBL505830

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CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL505830
Phase	Preclinical
Structure Type	MOL
InChI Key	IUQURQCHOSRPJM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

553.7

MW (Da)

3.09

ALogP

HBA

HBD

104.6

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 9.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	9.15	9.15	0.7	1
Macrophage colony-stimulating factor 1 receptor CHEMBL5570	IC50	8.89	8.89	1.3	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	8.22	8.22	6.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.44	7.44	36.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.82	5.82	1500.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	5.28	5.28	5300.0	1
Insulin receptor CHEMBL1981	IC50	4.7	4.7	19800.0	1

Parameter	Value	Units	Species
CL	4.0	mL.min-1.kg-1	Rattus norvegicus
Cmax	2700.0	nM	Rattus norvegicus
F	57.0	%	Rattus norvegicus
T1/2	6.5	hr	Rattus norvegicus
T1/2	4.5	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	0.7	nM	9.15	Inhibition of Fms by fluorescence polarization competition immunoassay	19193011
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.3	nM	8.89	Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox...	19193011
Mast/stem cell growth factor receptor Kit	IC50	=	6.0	nM	8.22	Inhibition of KIT by fluorescence polarization competition immunoassay	19193011
Receptor-type tyrosine-protein kinase FLT3	IC50	=	36.0	nM	7.44	Inhibition of FLT3 by fluorescence polarization competition immunoassay	19193011
Proto-oncogene tyrosine-protein kinase Src	IC50	=	1500.0	nM	5.82	Inhibition of Src by fluorescence polarization competition immunoassay	19193011
Platelet-derived growth factor receptor beta	IC50	=	5300.0	nM	5.28	Inhibition of PDGFRbeta by fluorescence polarization competition immunoassay	19193011
Insulin receptor	IC50	=	19800.0	nM	4.7	Inhibition of IRKbeta by fluorescence polarization competition immunoassay	19193011

PubMed	DOI	Target Context	# Activities
19193011	10.1021/jm801406h	Rattus norvegicus	6
19193011	10.1021/jm801406h	Macrophage colony-stimulating factor 1 receptor	2
19193011	10.1021/jm801406h	Receptor-type tyrosine-protein kinase FLT3	1
19193011	10.1021/jm801406h	Mast/stem cell growth factor receptor Kit	1
19193011	10.1021/jm801406h	Liver microsomes	1
19193011	10.1021/jm801406h	Proto-oncogene tyrosine-protein kinase Src	1
19193011	10.1021/jm801406h	Platelet-derived growth factor receptor beta	1
19193011	10.1021/jm801406h	Insulin receptor	1
19193011	10.1021/jm801406h	Tyrosine-protein kinase receptor UFO	1
19193011	10.1021/jm801406h	High affinity nerve growth factor receptor	1

Data from ChEMBL 36 via Core Engine