Compound Detail

CHEMBL2170950

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c1cnc2ccc(Cn3nnc4ncc(-c5cnn(C6CCNCC6)c5)nc43)cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2170950
Phase	Preclinical
Structure Type	MOL
InChI Key	IFAQDDNLMPFIAG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.5

MW (Da)

2.61

ALogP

HBA

HBD

99.2

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 7.48

Ki 1 meas. best 7.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	Ki	7.86	7.86	13.7	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.48	7.48	33.0	1

Parameter	Value	Units	Species
CL	81.7	mL.min-1.kg-1	Rattus norvegicus
CL	6.0	mL.min-1.g-1	Homo sapiens
F	-	%	Rattus norvegicus
T1/2	5.0	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	Ki	=	13.7	nM	7.86	Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to...	22924734
Hepatocyte growth factor receptor	IC50	=	33.0	nM	7.48	Antagonist activity at c-MET receptor in human A549 cells assessed as inhibition...	22924734

PubMed	DOI	Target Context	# Activities
22924734	10.1021/jm300967g	Rattus norvegicus	4
22924734	10.1021/jm300967g	No relevant target	2
22924734	10.1021/jm300967g	Hepatocyte growth factor receptor	2
22924734	10.1021/jm300967g	Caco-2	1
22924734	10.1021/jm300967g	Liver microsomes	1

Data from ChEMBL 36 via Core Engine