Compound Detail

CHEMBL327894

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CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL327894
Phase	Preclinical
Structure Type	MOL
InChI Key	ZVFHSZJIWZKCRN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

393.3

MW (Da)

1.76

ALogP

HBA

HBD

120.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.92

Ki 1 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	Ki	6.7	6.7	200.0	1
Mus musculus CHEMBL375	IC50	4.92	4.92	12000.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.04	4.04	92000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	Ki	=	200.0	nM	6.7	Binding affinity towards ionotropic glutamate receptor (high-affinity) of rat co...	14695840
Mus musculus	IC50	=	12000.0	nM	4.92	Concentration necessary for 50% inhibition of depolarization induced by 5 uM S-A...	14695840
Glutamate receptor ionotropic, kainate	IC50	=	92000.0	nM	4.04	Inhibition concentration towards high-affinity ionotropic glutamate receptor kai...	14695840

PubMed	DOI	Target Context	# Activities
14695840	10.1021/jm030906q	Mus musculus	2
14695840	10.1021/jm030906q	Rattus norvegicus	2
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, AMPA	1
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, NMDA 1	1
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, kainate	1

Data from ChEMBL 36 via Core Engine